CID int64 19 166M | SMILES stringlengths 2 1.5k | description stringlengths 191 6.48k | sequence stringlengths 89 36.2k |
|---|---|---|---|
1,000 | C1=CC=C(C=C1)C(CN)O | This is a description of a molecule: The molecule is the simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class. It has a role as a human metabolite. It is a conjugate base of a phenylethanolaminium.
The molec... | <graph>g_425molecule#node#0#7molecule#edge#0g_426molecule#node#0#5molecule#edge#0#0g_427molecule#node#0#5molecule#edge#0#0g_428molecule#node#0#5molecule#edge#0#3g_429molecule#node#0#5molecule#edge#0#3g_430molecule#node#0#5molecule#edge#0#3g_431molecule#node#0#5molecule#edge#0#3g_432molecule#node#0#5molecule#edge#0#3g_4... |
10,001,590 | CC(=C)C(CC1=C2C(=C(C3=C1OC4=C(C3=O)C=C(C=C4)O)O)C=CC(O2)(C)C)OO | This is a description of a molecule: The molecule is a member of the class of pyranoxanthones that is 2H,6H-pyrano[3,2-b]xanthen-6-one substituted by a 2-hydroperoxy-3-methylbut-3-en-1-yl moiety at position 12, hydroxy groups at positions 5 and 8 and geminal methyl groups at position 2. It is isolated from the stem bar... | <graph>g_182molecule#node#0#5molecule#edge#0g_183molecule#node#0#5molecule#edge#0#3g_184molecule#node#0#5molecule#edge#0#3g_185molecule#node#0#5molecule#edge#0#3g_186molecule#node#0#7molecule#edge#0#3g_187molecule#node#0#5molecule#edge#0#3g_188molecule#node#0#5molecule#edge#0#3g_189molecule#node#0#5molecule#edge#0#0g_1... |
100,018 | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C | This is a description of a molecule: The molecule is a steroid saponin.
The molecule is a natural product found in Panax ginseng and Panax quinquefolius with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_264molecule#node#0#5molecule#edge#0g_265molecule#node#0#5molecule#edge#0#0g_266molecule#node#0#5molecule#edge#0#0g_267molecule#node#0#5molecule#edge#0#0g_268molecule#node#0#5molecule#edge#0#1g_269molecule#node#0#5molecule#edge#0#0g_268molecule#node#0#5molecule#edge#0#0g_270molecule#node#0#5molecule#edge#0#0g_2... |
10,001,844 | CC(=C)CC(C(=O)C1(CO1)CO)NC(=O)[C@H](CO)NC(=O)CCCCC(C)(C)O | This is a description of a molecule: The molecule is an epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-(6-hydroxy-6-methylheptanoyl)-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces. It has a role as a proteasome inhibitor, an antineoplastic agent,... | <graph>g_389molecule#node#0#5molecule#edge#0g_390molecule#node#0#5molecule#edge#0#0g_391molecule#node#0#5molecule#edge#0#0g_392molecule#node#0#5molecule#edge#0#0g_393molecule#node#0#5molecule#edge#0#0g_394molecule#node#0#5molecule#edge#0#0g_395molecule#node#0#5molecule#edge#0#0g_394molecule#node#0#5molecule#edge#0#0g_3... |
10,004,345 | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)CO)O)C)C)(C)C)O | This is a description of a molecule: The molecule is a pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3beta, 16alpha and 28-positions. It derives from a hydride of an oleanane. Generate this molecule graph between <graph> </graph>:... | <graph>g_372molecule#node#0#5molecule#edge#0g_373molecule#node#0#5molecule#edge#0#0g_374molecule#node#0#5molecule#edge#0#0g_375molecule#node#0#5molecule#edge#0#0g_376molecule#node#0#5molecule#edge#0#1g_377molecule#node#0#5molecule#edge#0#0g_378molecule#node#0#5molecule#edge#0#0g_379molecule#node#0#5molecule#edge#0#0g_3... |
10,007 | CC(C)(CC1=CC=C(C=C1)Cl)N | This is a description of a molecule: The molecule is a member of amphetamines.
A sympathomimetic agent that was formerly used as an anorectic. It has properties similar to those of dextroamphetamine. It has been implicated in lipid storage disorders and pulmonary hypertension. (From Martindale, The Extra Pharmacopoeia,... | <graph>g_186molecule#node#0#5molecule#edge#0g_187molecule#node#0#5molecule#edge#0#3g_188molecule#node#0#5molecule#edge#0#0g_189molecule#node#0#5molecule#edge#0#0g_190molecule#node#0#5molecule#edge#0#0g_189molecule#node#0#5molecule#edge#0#0g_191molecule#node#0#5molecule#edge#0#0g_189molecule#node#0#5molecule#edge#0#0g_1... |
10,007,022 | C[C@H]1C[C@H]2[C@@H]([C@@H]1CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)[C@@H](C(=O)O2)CO | This is a description of a molecule: The molecule is a iridoid monoterpenoid isolated from the aerial parts of Verbena litoralis and shown to possess stimulating effects on nerve growth factor. It has a role as a metabolite and a nerve growth factor stimulator. It is an iridoid monoterpenoid, a monoterpene glycoside, a... | <graph>g_478molecule#node#0#5molecule#edge#0g_479molecule#node#0#5molecule#edge#0#1g_480molecule#node#0#5molecule#edge#0#0g_481molecule#node#0#7molecule#edge#0#0g_482molecule#node#0#5molecule#edge#0#0g_483molecule#node#0#5molecule#edge#0#0g_484molecule#node#0#5molecule#edge#0#0g_485molecule#node#0#7molecule#edge#0#0g_4... |
10,008,761 | CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O | This is a description of a molecule: The molecule is an acyclic desferrioxamine that is the N-acetyl derivative of desferrioxamine B.
The molecule is a natural product found in Streptomyces albidoflavus, Streptomyces coelicolor, and other organisms with data available. Generate this molecule graph between <graph> </gra... | <graph>g_238molecule#node#0#6molecule#edge#0g_239molecule#node#0#5molecule#edge#0#0g_240molecule#node#0#5molecule#edge#0#0g_241molecule#node#0#5molecule#edge#0#0g_242molecule#node#0#5molecule#edge#0#0g_243molecule#node#0#5molecule#edge#0#0g_244molecule#node#0#6molecule#edge#0#0g_245molecule#node#0#5molecule#edge#0#0g_2... |
100,094 | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N | This is a description of a molecule: The molecule is a dipeptide composed of L-glutamic acid and L-tryptophan joined by a peptide linkage. It has a role as a metabolite, an immunomodulator, an angiogenesis modulating agent and an antineoplastic agent. It is functionally related to a L-glutamic acid and a L-tryptophan.
... | <graph>g_459molecule#node#0#5molecule#edge#0g_460molecule#node#0#5molecule#edge#0#3g_461molecule#node#0#5molecule#edge#0#3g_462molecule#node#0#5molecule#edge#0#3g_463molecule#node#0#5molecule#edge#0#3g_464molecule#node#0#5molecule#edge#0#3g_459molecule#node#0#5molecule#edge#0#3g_460molecule#node#0#5molecule#edge#0#3g_4... |
10,009,623 | C1CN2C/C(=C/CO)/[C@@H]3C[C@H]2[C@@]14[C@@H]5[C@H]3C=C(C(=O)N5C6=CC=CC=C46)[C@H]7C[C@@]89[C@H]1N7CC2=CCO[C@H]3CC(=O)N([C@H]8[C@H]3[C@H]2C1)C1=CC=CC=C91 | This is a description of a molecule: The molecule is a bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity. It has a role as a metabolite and an antiplasmodial drug. It is a bisindole alkaloid, a primary alcohol and a ring as... | <graph>g_385molecule#node#0#5molecule#edge#0g_386molecule#node#0#5molecule#edge#0#0g_387molecule#node#0#5molecule#edge#0#1g_388molecule#node#0#5molecule#edge#0#0g_389molecule#node#0#7molecule#edge#0#0g_388molecule#node#0#5molecule#edge#0#0g_387molecule#node#0#5molecule#edge#0#0g_386molecule#node#0#5molecule#edge#0#1g_3... |
10,019,350 | C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCCN)C | This is a description of a molecule: The molecule is an artemisinin derivative in which the lactone of (+)-artemisinin has been converted into the corresponding lactol 2-aminoethyl ether [beta (S) configuration at the new stereocentre]. It is an artemisinin derivative and a primary amino compound. Generate this molecul... | <graph>g_328molecule#node#0#5molecule#edge#0g_329molecule#node#0#5molecule#edge#0#0g_330molecule#node#0#5molecule#edge#0#0g_329molecule#node#0#5molecule#edge#0#0g_331molecule#node#0#5molecule#edge#0#0g_332molecule#node#0#5molecule#edge#0#0g_333molecule#node#0#5molecule#edge#0#0g_334molecule#node#0#5molecule#edge#0#0g_3... |
10,021,147 | C[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O)O | This is a description of a molecule: The molecule is a member of the class of tetracenequinones that is 7,8,9,10-tetrahydrotetracene-5,12-dione carrying hydroxy groups at positions 1, 6, 8S, 10S and 11 and a methyl group at position 8S. It is the aglycone of komodoquinone A which was isolated from the marine bacterium ... | <graph>g_150molecule#node#0#5molecule#edge#0g_151molecule#node#0#5molecule#edge#0#3g_152molecule#node#0#5molecule#edge#0#3g_153molecule#node#0#5molecule#edge#0#3g_154molecule#node#0#5molecule#edge#0#0g_155molecule#node#0#7molecule#edge#0#1g_154molecule#node#0#5molecule#edge#0#1g_156molecule#node#0#5molecule#edge#0#0g_1... |
10,021,867 | CCC(C)[C@@H](C(=O)NCCCC1=CN=C(N1)N)NC(=O)[C@@H]2[C@H](O2)C(=O)O | This is a description of a molecule: The molecule is a member of the class of guanidines isolated from the culture mycelium of the fungal strain Aphanoascus fulvescens and has been shown to exhibit inhibitory activity against cathepsin B and L. It has a role as a cathepsin B inhibitor, a cathepsin L (EC 3.4.22.15) inhi... | <graph>g_68molecule#node#0#5molecule#edge#0g_69molecule#node#0#5molecule#edge#0#0g_70molecule#node#0#5molecule#edge#0#0g_71molecule#node#0#5molecule#edge#0#0g_72molecule#node#0#6molecule#edge#0#0g_73molecule#node#0#5molecule#edge#0#0g_74molecule#node#0#5molecule#edge#0#0g_75molecule#node#0#5molecule#edge#0#0g_76molecul... |
10,022,829 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O | This is a description of a molecule: The molecule is an amino disaccharide consisting of beta-D-glucose linked via a (1->3)-glycosidic bond to N-acetyl-D-glucosamine. It is an amino disaccharide, a glucosamine oligosaccharide and a member of acetamides. Generate this molecule graph between <graph> </graph>: | <graph>g_102molecule#node#0#5molecule#edge#0g_103molecule#node#0#5molecule#edge#0#0g_104molecule#node#0#6molecule#edge#0#0g_105molecule#node#0#5molecule#edge#0#0g_106molecule#node#0#5molecule#edge#0#0g_105molecule#node#0#5molecule#edge#0#0g_107molecule#node#0#7molecule#edge#0#1g_105molecule#node#0#5molecule#edge#0#1g_1... |
100,231 | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC | This is a description of a molecule: The molecule is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.
The molecule is a natural product found in Berberis integerrima, Dehaasia incrassata, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_494molecule#node#0#5molecule#edge#0g_495molecule#node#0#5molecule#edge#0#0g_496molecule#node#0#5molecule#edge#0#3g_497molecule#node#0#5molecule#edge#0#3g_498molecule#node#0#5molecule#edge#0#3g_499molecule#node#0#7molecule#edge#0#0g_500molecule#node#0#5molecule#edge#0#0g_499molecule#node#0#7molecule#edge#0#0g_4... |
10,024,043 | COC1=CC(=CC2=C1O[C@H]([C@@H]2CO)C3=CC(=C(C(=C3)OC)OC)OC)/C=C/CO | This is a description of a molecule: The molecule is a neolignan isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a member of benzofurans, a neolignan, a primary alcohol and a member of methoxybenzenes. Generate this molecule graph between <graph> </graph>: | <graph>g_227molecule#node#0#5molecule#edge#0g_228molecule#node#0#7molecule#edge#0#0g_229molecule#node#0#5molecule#edge#0#0g_230molecule#node#0#5molecule#edge#0#3g_231molecule#node#0#7molecule#edge#0#0g_232molecule#node#0#5molecule#edge#0#0g_231molecule#node#0#7molecule#edge#0#0g_230molecule#node#0#5molecule#edge#0#0g_2... |
100,252 | C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N | This is a description of a molecule: The molecule is a 1-ribosyltriazole that is ribavirin in which the hydroxy group at the 5'-position is replaced by a phosphonooxy group. It is the active metabolite of the antiviral agent ribavirin. It has a role as a human blood serum metabolite, a drug metabolite, an antiviral age... | <graph>g_356molecule#node#0#7molecule#edge#0g_357molecule#node#0#5molecule#edge#0#0g_358molecule#node#0#5molecule#edge#0#0g_359molecule#node#0#7molecule#edge#0#0g_358molecule#node#0#5molecule#edge#0#0g_360molecule#node#0#5molecule#edge#0#0g_361molecule#node#0#6molecule#edge#0#0g_362molecule#node#0#5molecule#edge#0#3g_3... |
100,269 | CC1(O[C@@H]2[C@H](OC([C@@H]2O1)NC(=O)N(CCCl)N=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C | This is a description of a molecule: The molecule is a chloroethylamine derivative, with alkylating activity. Bofumustine alkylates DNA and forms DNA-DNA crosslinks, which result in the inhibition of DNA, RNA and protein synthesis and ultimately the induction of apoptosis. Generate this molecule graph between <graph> <... | <graph>g_294molecule#node#0#5molecule#edge#0g_295molecule#node#0#5molecule#edge#0#0g_296molecule#node#0#5molecule#edge#0#0g_295molecule#node#0#5molecule#edge#0#0g_297molecule#node#0#7molecule#edge#0#0g_298molecule#node#0#5molecule#edge#0#0g_299molecule#node#0#5molecule#edge#0#0g_300molecule#node#0#5molecule#edge#0#0g_3... |
100,274 | C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O)O | This is a description of a molecule: The molecule is a glycoside.
The molecule is a natural product found in Lotus uliginosus, Astragalus canadensis, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_330molecule#node#0#5molecule#edge#0g_331molecule#node#0#5molecule#edge#0#0g_332molecule#node#0#5molecule#edge#0#0g_333molecule#node#0#7molecule#edge#0#0g_334molecule#node#0#5molecule#edge#0#0g_335molecule#node#0#5molecule#edge#0#0g_336molecule#node#0#7molecule#edge#0#0g_337molecule#node#0#5molecule#edge#0#0g_3... |
100,275 | C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])O)O)O | This is a description of a molecule: The molecule is a glycoside.
The molecule is a natural product found in Astragalus siliquosus, Lotus uliginosus, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_188molecule#node#0#7molecule#edge#0g_189molecule#node#0#6molecule#edge#0#1g_190molecule#node#0#5molecule#edge#0#0g_191molecule#node#0#5molecule#edge#0#0g_192molecule#node#0#5molecule#edge#0#0g_193molecule#node#0#7molecule#edge#0#1g_192molecule#node#0#5molecule#edge#0#1g_194molecule#node#0#7molecule#edge#0#0g_1... |
10,029,385 | C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7 | This is a description of a molecule: The molecule is a member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is... | <graph>g_414molecule#node#0#5molecule#edge#0g_415molecule#node#0#5molecule#edge#0#3g_416molecule#node#0#5molecule#edge#0#3g_417molecule#node#0#8molecule#edge#0#0g_416molecule#node#0#5molecule#edge#0#0g_418molecule#node#0#5molecule#edge#0#3g_419molecule#node#0#5molecule#edge#0#3g_420molecule#node#0#5molecule#edge#0#3g_4... |
1,003 | OP(=O)(O)[O-] | This is a description of a molecule: The molecule is a monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated. It is a monovalent inorganic anion and a phosphate ion. It is a conjugate base of a phosphoric acid. It is a conjugate acid of a hydrogenphosphate... | <graph>g_16molecule#node#0#7molecule#edge#0g_17molecule#node#0#14molecule#edge#0#0g_18molecule#node#0#7molecule#edge#0#0g_17molecule#node#0#14molecule#edge#0#0g_19molecule#node#0#7molecule#edge#0#1g_17molecule#node#0#14molecule#edge#0#1g_20molecule#node#0#7molecule#edge#0#0</graph> |
10,030,158 | CCCCC(C)/C=C(\C)/C=C/C(=O)NC1=C[C@]([C@@H](CC1=O)O)(/C=C/C=C/C=C/C(=O)NC2=C(CCC2=O)O)O | This is a description of a molecule: The molecule is a polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by an (E,E)-4,6-dimethyldeca-2,4-dienoyl group. TMC-1C is an antitumour antibiotic isolated from Streptomyces sp. A-230. It has a role as an antineoplastic agent and a ba... | <graph>g_460molecule#node#0#7molecule#edge#0g_461molecule#node#0#5molecule#edge#0#1g_462molecule#node#0#5molecule#edge#0#0g_463molecule#node#0#6molecule#edge#0#0g_464molecule#node#0#5molecule#edge#0#0g_465molecule#node#0#5molecule#edge#0#0g_466molecule#node#0#5molecule#edge#0#1g_467molecule#node#0#5molecule#edge#0#0g_4... |
100,308 | COC1=C([C@@H]([C@@](C=C1Br)(CC#N)O)O)Br | This is a description of a molecule: The molecule is a tertiary alcohol.
The molecule is a natural product found in Pseudoceratina durissima, Aplysina, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_59molecule#node#0#5molecule#edge#0g_60molecule#node#0#5molecule#edge#0#1g_61molecule#node#0#7molecule#edge#0#0g_62molecule#node#0#5molecule#edge#0#0g_61molecule#node#0#7molecule#edge#0#0g_60molecule#node#0#5molecule#edge#0#0g_63molecule#node#0#5molecule#edge#0#0g_64molecule#node#0#34molecule#edge#0#0g_63molecu... |
10,031,063 | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O | This is a description of a molecule: The molecule is a cardenolide glycoside that is the 2'-acetyl derivative of neriifolin. It has a role as an antineoplastic agent and a metabolite. It is a cardenolide glycoside, a monosaccharide derivative and an acetate ester. It is functionally related to a neriifolin.
The molecul... | <graph>g_333molecule#node#0#5molecule#edge#0g_334molecule#node#0#5molecule#edge#0#0g_335molecule#node#0#5molecule#edge#0#0g_336molecule#node#0#5molecule#edge#0#0g_337molecule#node#0#5molecule#edge#0#0g_338molecule#node#0#5molecule#edge#0#0g_339molecule#node#0#5molecule#edge#0#0g_340molecule#node#0#7molecule#edge#0#0g_3... |
10,031,682 | CCC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)C)C)OC(=O)CC)C | This is a description of a molecule: The molecule is a sesquiterpenoid that consists of a heterotetracyclic system linked to a pyridine moiety. Isolated from the fungus, Aspergillus fumigatus, it exhibits inhibitory activity against acyl-CoA:cholesterol acyltransferase 2. It has a role as an Aspergillus metabolite and ... | <graph>g_391molecule#node#0#7molecule#edge#0g_392molecule#node#0#5molecule#edge#0#0g_393molecule#node#0#5molecule#edge#0#0g_394molecule#node#0#5molecule#edge#0#0g_395molecule#node#0#5molecule#edge#0#0g_396molecule#node#0#5molecule#edge#0#0g_397molecule#node#0#5molecule#edge#0#0g_398molecule#node#0#7molecule#edge#0#0g_3... |
100,335 | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C | This is a description of a molecule: The molecule is a chemical compound of antimony. Antimony is a metallic element with the chemical symbol Sb and atomic number 51. Small amounts of antimony are found in the earth's crust. (L741, L808) Generate this molecule graph between <graph> </graph>: | <graph>g_133molecule#node#0#5molecule#edge#0g_134molecule#node#0#5molecule#edge#0#3g_135molecule#node#0#5molecule#edge#0#0g_136molecule#node#0#6molecule#edge#0#3g_137molecule#node#0#5molecule#edge#0#3g_138molecule#node#0#5molecule#edge#0#3g_139molecule#node#0#5molecule#edge#0#3g_140molecule#node#0#5molecule#edge#0#3g_1... |
10,037 | C=C=C | This is a description of a molecule: Propadiene, stabilized appears as a colorless flammable gas. May become unstable. Not toxic but asphyxiation may occur because of displacement of oxygen. Under prolonged exposure to fire or heat the containers may rupture violently and rocket.
The molecule is a member of allenes. Ge... | <graph>g_409molecule#node#0#5molecule#edge#0g_410molecule#node#0#5molecule#edge#0#1g_409molecule#node#0#5molecule#edge#0#1g_411molecule#node#0#5molecule#edge#0#1</graph> |
10,037,425 | C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)CO)O | This is a description of a molecule: The molecule is an orally bioavailable 4-thio modified 2-deoxycytidine analog, with potential antineoplastic activity. Upon administration of 4-thio-2-deoxycytidine (TdCyd), this cytidine analog gets incorporated into DNA during replication and inhibits the activity of DNA methyltra... | <graph>g_94molecule#node#0#6molecule#edge#0g_95molecule#node#0#5molecule#edge#0#0g_96molecule#node#0#5molecule#edge#0#3g_97molecule#node#0#5molecule#edge#0#3g_98molecule#node#0#6molecule#edge#0#3g_99molecule#node#0#5molecule#edge#0#0g_100molecule#node#0#5molecule#edge#0#0g_101molecule#node#0#5molecule#edge#0#0g_102mole... |
10,038 | C=C=O | This is a description of a molecule: The molecule is the manufacture of acetic anhydride, sorbic acid, cinnamic acids, chloroacetyl chloride and other materials. Readily polymerizes and cannot be shipped or stored. Is obtained instead as needed from diketene. DIKETENE (CAS: 674-82-8; Formula: C4H2O2 ) is a colorless ... | <graph>g_326molecule#node#0#5molecule#edge#0g_327molecule#node#0#5molecule#edge#0#1g_326molecule#node#0#5molecule#edge#0#1g_328molecule#node#0#7molecule#edge#0#1</graph> |
10,040 | C(=S)(Cl)Cl | This is a description of a molecule: Thiophosgene appears as a reddish liquid. Boiling point 73.5 °C. A severe eye irritant. May severely burn skin on contact. Very toxic by inhalation and by skin absorption.
The molecule is a thiocarbonyl compound and a one-carbon compound. Generate this molecule graph between <graph>... | <graph>g_219molecule#node#0#16molecule#edge#0g_220molecule#node#0#5molecule#edge#0#0g_221molecule#node#0#15molecule#edge#0#1g_220molecule#node#0#5molecule#edge#0#1g_222molecule#node#0#16molecule#edge#0#0</graph> |
10,041,129 | CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O | This is a description of a molecule: The molecule is a thioadenosine that is adenosine with the hydroxy group at C-5' substituted with an ethylthio (ethylsulfanyl) group. It has a role as a metabolite. It is functionally related to an adenosine.
The molecule is a natural product found in Trypanosoma brucei with data av... | <graph>g_30molecule#node#0#6molecule#edge#0g_31molecule#node#0#5molecule#edge#0#0g_32molecule#node#0#5molecule#edge#0#3g_33molecule#node#0#6molecule#edge#0#3g_34molecule#node#0#5molecule#edge#0#3g_35molecule#node#0#6molecule#edge#0#3g_36molecule#node#0#5molecule#edge#0#0g_37molecule#node#0#5molecule#edge#0#0g_38molecul... |
10,041,593 | CC/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CCCC(=O)O)O | This is a description of a molecule: The molecule is a hydroxyicosapentaenoic acid that consists of 5Z,8Z,10E,14Z,17Z-icosapentaenoic acid bearing an additional 12-hydroxy substituent. It has a role as a mouse metabolite. It is a conjugate acid of a 12-HEPE(1-). Generate this molecule graph between <graph> </graph>: | <graph>g_337molecule#node#0#5molecule#edge#0g_338molecule#node#0#5molecule#edge#0#0g_339molecule#node#0#5molecule#edge#0#0g_338molecule#node#0#5molecule#edge#0#0g_337molecule#node#0#5molecule#edge#0#0g_340molecule#node#0#5molecule#edge#0#1g_341molecule#node#0#5molecule#edge#0#0g_342molecule#node#0#5molecule#edge#0#0g_3... |
100,418 | C1C2=CC=CC=C2OC3=C(C(=C(C(=C31)O)C(=O)CCC4=CC=CC=C4)O)CC5=CC=CC=C5O | This is a description of a molecule: The molecule is a member of dihydrochalcones.
The molecule is a natural product found in Uvaria chamae, Uvaria lucida, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_47molecule#node#0#5molecule#edge#0g_48molecule#node#0#5molecule#edge#0#3g_49molecule#node#0#5molecule#edge#0#0g_50molecule#node#0#5molecule#edge#0#0g_51molecule#node#0#5molecule#edge#0#3g_52molecule#node#0#5molecule#edge#0#3g_53molecule#node#0#5molecule#edge#0#0g_54molecule#node#0#5molecule#edge#0#0g_55molecul... |
10,044 | CC(C)C(C)(C)C | This is a description of a molecule: The molecule is a hydrocarbon and one of the isomers of heptane. Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
Decarboxylated monoamine derivatives of TRYPTOPHAN. Generate this molecule graph between <graph>... | <graph>g_206molecule#node#0#5molecule#edge#0g_207molecule#node#0#5molecule#edge#0#0g_208molecule#node#0#5molecule#edge#0#0g_207molecule#node#0#5molecule#edge#0#0g_209molecule#node#0#5molecule#edge#0#0g_210molecule#node#0#5molecule#edge#0#0g_209molecule#node#0#5molecule#edge#0#0g_211molecule#node#0#5molecule#edge#0#0g_2... |
10,044,423 | CSCCC(C(=O)N[C@]1(CS(=O)(=O)[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O)N | This is a description of a molecule: The molecule is an investigational drug from Lilly, which is being developed as a new treatment option for schizophrenia. LY2140023 is an oral "prodrug," meaning it is devoid of intrinsic biological activity and, once administered, is metabolized to provide the active mGlu2/3 recept... | <graph>g_393molecule#node#0#5molecule#edge#0g_394molecule#node#0#15molecule#edge#0#0g_395molecule#node#0#7molecule#edge#0#1g_394molecule#node#0#15molecule#edge#0#1g_396molecule#node#0#7molecule#edge#0#1g_394molecule#node#0#15molecule#edge#0#1g_397molecule#node#0#5molecule#edge#0#0g_398molecule#node#0#5molecule#edge#0#0... |
100,492 | COC1=C(C=C2C(=C1)C(=C3C(=C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC | This is a description of a molecule: The molecule is a lignan.
The molecule is a natural product found in Haplophyllum alberti-regelii, Haplophyllum bucharicum, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_287molecule#node#0#5molecule#edge#0g_288molecule#node#0#7molecule#edge#0#0g_289molecule#node#0#5molecule#edge#0#0g_290molecule#node#0#5molecule#edge#0#3g_291molecule#node#0#7molecule#edge#0#0g_292molecule#node#0#5molecule#edge#0#0g_291molecule#node#0#7molecule#edge#0#0g_290molecule#node#0#5molecule#edge#0#0g_2... |
10,051,843 | CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC | This is a description of a molecule: The molecule is a 1,2-diacyl-sn-glycerol 3-diphosphate in which both of the phosphatidyl acyl groups are specified as octanoyl. It is a 1,2-diacyl-sn-glycerol 3-diphosphate and an octanoate ester. It is a conjugate acid of a 1,2-dioctanoyl-sn-glycerol 3-diphosphate(3-). Generate thi... | <graph>g_142molecule#node#0#14molecule#edge#0g_143molecule#node#0#7molecule#edge#0#0g_144molecule#node#0#5molecule#edge#0#0g_145molecule#node#0#5molecule#edge#0#0g_146molecule#node#0#5molecule#edge#0#0g_147molecule#node#0#7molecule#edge#0#0g_148molecule#node#0#5molecule#edge#0#0g_149molecule#node#0#5molecule#edge#0#0g_... |
10,052,850 | CC(C/C=C/C=C\CCC(=C)CC(C)C/C(=C/C(=O)O)/C)CC(=O)CC(CNC(=O)CC(C)OC(=O)N)O | This is a description of a molecule: The molecule is a fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity. It has a role as an antibacterial agent, an antimicrobial agent and a bacterial metabolite. It is a carbamate ester, a fatty ac... | <graph>g_378molecule#node#0#5molecule#edge#0g_379molecule#node#0#5molecule#edge#0#0g_378molecule#node#0#5molecule#edge#0#0g_380molecule#node#0#5molecule#edge#0#0g_381molecule#node#0#5molecule#edge#0#0g_382molecule#node#0#5molecule#edge#0#1g_383molecule#node#0#5molecule#edge#0#0g_384molecule#node#0#5molecule#edge#0#1g_3... |
10,053,416 | C[C@H]1C[C@H](CC(=O)O[C@H](C/C(=C/C=C\C(=O)O[C@@H](CC2=NC1=CS2)/C=C(\C)/C=C/C(=C/CN(C)C)/C)/C)C)N | This is a description of a molecule: The molecule is a marine macrodiolide that is isolated from the sponge Mycale hentscheli and exhibits anticancer and antiviral properties It has a role as a marine metabolite, an antiviral agent, an antineoplastic agent and a eukaryotic initiation factor 4F inhibitor. It is a member... | <graph>g_417molecule#node#0#5molecule#edge#0g_418molecule#node#0#5molecule#edge#0#0g_419molecule#node#0#5molecule#edge#0#0g_420molecule#node#0#5molecule#edge#0#0g_419molecule#node#0#5molecule#edge#0#0g_421molecule#node#0#5molecule#edge#0#0g_422molecule#node#0#6molecule#edge#0#3g_423molecule#node#0#5molecule#edge#0#3g_4... |
10,054,040 | COC1=CC2=C(C=C1)C(=C3C4=C2C5=C(C=C4CCN3)OCO5)C6=C7C8=C(C9=C6C=CC(=C9)OC)C1=C(C=C8CCN7)OCO1 | This is a description of a molecule: The molecule is an isoquinoline alkaloid that is a dimer of 10-methoxydehydroanonaine. Isolated from the roots of Polyalthia debilis, it exhibits moderate antimalarial activity by inhibiting the growth of the malarial parasite Plasmodium falciparum. It has a role as a metabolite and... | <graph>g_206molecule#node#0#5molecule#edge#0g_207molecule#node#0#7molecule#edge#0#0g_208molecule#node#0#5molecule#edge#0#0g_209molecule#node#0#5molecule#edge#0#3g_210molecule#node#0#5molecule#edge#0#3g_211molecule#node#0#5molecule#edge#0#3g_212molecule#node#0#5molecule#edge#0#3g_213molecule#node#0#5molecule#edge#0#3g_2... |
10,054,253 | CCC(C)C1=CC2=C(C(=C3C(=C2Cl)C[C@@H]4C5=C3C(=C6C(=O)[C@H]7[C@H](C=C[C@H]([C@H]7OC6=C5OCO4)OC)O)O)O)C(=O)N1N | This is a description of a molecule: The molecule is an organic heteroheptacyclic compound isolated from the fermentation culture broth of Actinoplanes sp. It is a broad-spectrum antifungal agent. It has a role as a metabolite and an antifungal agent. It is a member of phenols, an organochlorine compound, a secondary a... | <graph>g_170molecule#node#0#5molecule#edge#0g_171molecule#node#0#5molecule#edge#0#3g_172molecule#node#0#5molecule#edge#0#3g_173molecule#node#0#7molecule#edge#0#0g_172molecule#node#0#5molecule#edge#0#0g_174molecule#node#0#5molecule#edge#0#3g_175molecule#node#0#5molecule#edge#0#0g_176molecule#node#0#5molecule#edge#0#3g_1... |
10,056,140 | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)OC6=C(C(=C(C=C6C(=O)O)O)O)O)O | This is a description of a molecule: The molecule is a tannin.
The molecule is a natural product found in Cunonia macrophylla, Mallotus japonicus, and Mallotus repandus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_371molecule#node#0#5molecule#edge#0g_372molecule#node#0#5molecule#edge#0#0g_373molecule#node#0#7molecule#edge#0#0g_374molecule#node#0#5molecule#edge#0#0g_375molecule#node#0#5molecule#edge#0#0g_376molecule#node#0#7molecule#edge#0#0g_375molecule#node#0#5molecule#edge#0#0g_377molecule#node#0#5molecule#edge#0#0g_3... |
10,056,197 | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]7[C@@H]([C@@H](O6)C)O[C@H]8[C@@H](O7)CC(=O)[C@H](O8)C)N(C)C)O | This is a description of a molecule: The molecule is an antineoplastic oligosaccharide anthracycline antibiotic isolated from the bacterium Streptomyces galilaeus. Aclacinomycin B intercalates into DNA and inhibits both the topoisomerase I and II enzymes, thereby inhibiting DNA replication and ultimately, interfering ... | <graph>g_441molecule#node#0#5molecule#edge#0g_442molecule#node#0#5molecule#edge#0#3g_443molecule#node#0#5molecule#edge#0#3g_444molecule#node#0#7molecule#edge#0#0g_443molecule#node#0#5molecule#edge#0#0g_445molecule#node#0#5molecule#edge#0#3g_446molecule#node#0#5molecule#edge#0#3g_447molecule#node#0#5molecule#edge#0#0g_4... |
10,056,458 | CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C | This is a description of a molecule: The molecule is a taxane diterpenoid that consists of paclitaxel bearing an additional hydroxy substituent at the 6alpha-position. It has a role as an antineoplastic agent. It is a taxane diterpenoid and a tetracyclic diterpenoid. It is functionally related to a paclitaxel.
The mole... | <graph>g_296molecule#node#0#5molecule#edge#0g_297molecule#node#0#5molecule#edge#0#0g_298molecule#node#0#5molecule#edge#0#0g_299molecule#node#0#5molecule#edge#0#1g_300molecule#node#0#5molecule#edge#0#0g_299molecule#node#0#5molecule#edge#0#0g_301molecule#node#0#5molecule#edge#0#0g_302molecule#node#0#7molecule#edge#0#0g_3... |
10,058,450 | C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O | This is a description of a molecule: The molecule is a deoxyheptose that is L-glycero-D-manno-heptopyranose in which the 7-hydroxy group is substituted by hydrogen. It is functionally related to a D-mannopyranose. Generate this molecule graph between <graph> </graph>: | <graph>g_367molecule#node#0#5molecule#edge#0g_368molecule#node#0#5molecule#edge#0#0g_369molecule#node#0#7molecule#edge#0#0g_368molecule#node#0#5molecule#edge#0#0g_370molecule#node#0#5molecule#edge#0#0g_371molecule#node#0#7molecule#edge#0#0g_370molecule#node#0#5molecule#edge#0#0g_372molecule#node#0#5molecule#edge#0#0g_3... |
10,060,362 | C1=CC2=C(C(=C1)O)OC3=C(C2=O)C(=C(C=C3)O)O | This is a description of a molecule: The molecule is a member of the class of xanthones that is 9H-xanthen-9-one substituted bybhydroxy groups at positions 1, 2 and 5. It is isolated from Garcinia subelliptica. It has a role as a metabolite. It is a member of xanthones and a polyphenol.
The molecule is a natural produc... | <graph>g_34molecule#node#0#5molecule#edge#0g_35molecule#node#0#5molecule#edge#0#3g_36molecule#node#0#5molecule#edge#0#3g_37molecule#node#0#7molecule#edge#0#3g_38molecule#node#0#5molecule#edge#0#3g_39molecule#node#0#5molecule#edge#0#3g_40molecule#node#0#5molecule#edge#0#3g_41molecule#node#0#5molecule#edge#0#3g_42molecul... |
100,633 | COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4 | This is a description of a molecule: The molecule is an extended flavonoid.
The molecule is a natural product found in Fordia cauliflora, Millettia pulchra, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_368molecule#node#0#7molecule#edge#0g_369molecule#node#0#5molecule#edge#0#1g_370molecule#node#0#5molecule#edge#0#3g_371molecule#node#0#7molecule#edge#0#0g_372molecule#node#0#5molecule#edge#0#0g_371molecule#node#0#7molecule#edge#0#0g_370molecule#node#0#5molecule#edge#0#0g_373molecule#node#0#5molecule#edge#0#3g_3... |
10,072,444 | CC(=O)C1=C(C=C(C(=C1OC)C2=C3C(=C(C=C2CO)O)C(=O)C4=C(C3=O)C=CC=C4O)O)O | This is a description of a molecule: The molecule is an anthraquinone that is anthracene-9,10-dione substituted by a 3-acetyl-4,6-dihydroxy-2-methoxyphenyl moiety at position 1, hydroxy groups at positions 4 and 5 and a hydroxymethyl group at position 2. Isolated from the roots of Bulbine frutescens, it exhibits antipl... | <graph>g_338molecule#node#0#5molecule#edge#0g_339molecule#node#0#5molecule#edge#0#3g_340molecule#node#0#5molecule#edge#0#3g_339molecule#node#0#5molecule#edge#0#3g_341molecule#node#0#5molecule#edge#0#0g_342molecule#node#0#7molecule#edge#0#1g_341molecule#node#0#5molecule#edge#0#1g_343molecule#node#0#5molecule#edge#0#0g_3... |
10,072,745 | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O)O)O)O)O)O | This is a description of a molecule: The molecule is a member of coumarins and a glycoside.
The molecule is a natural product found in Stellera chamaejasme with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_364molecule#node#0#7molecule#edge#0g_365molecule#node#0#5molecule#edge#0#0g_366molecule#node#0#5molecule#edge#0#0g_367molecule#node#0#7molecule#edge#0#0g_366molecule#node#0#5molecule#edge#0#0g_368molecule#node#0#5molecule#edge#0#0g_369molecule#node#0#5molecule#edge#0#0g_370molecule#node#0#7molecule#edge#0#0g_3... |
10,074 | CO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4 | This is a description of a molecule: The molecule is an organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,gamma- to the lactone carbonyl group instead of alpha,beta-.... | <graph>g_174molecule#node#0#5molecule#edge#0g_175molecule#node#0#5molecule#edge#0#0g_176molecule#node#0#5molecule#edge#0#0g_177molecule#node#0#5molecule#edge#0#0g_178molecule#node#0#5molecule#edge#0#1g_177molecule#node#0#5molecule#edge#0#1g_179molecule#node#0#5molecule#edge#0#0g_180molecule#node#0#5molecule#edge#0#0g_1... |
10,075,681 | COC(=O)C1(C[C@H](C([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O | This is a description of a molecule: The molecule is a methyl ester resulting from the formal condensation of the carboxy group of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity. It has a role as a metabolite and a hepatoprotecti... | <graph>g_88molecule#node#0#5molecule#edge#0g_89molecule#node#0#5molecule#edge#0#0g_90molecule#node#0#5molecule#edge#0#0g_91molecule#node#0#7molecule#edge#0#0g_92molecule#node#0#5molecule#edge#0#0g_91molecule#node#0#7molecule#edge#0#0g_90molecule#node#0#5molecule#edge#0#0g_93molecule#node#0#7molecule#edge#0#1g_90molecul... |
10,076,166 | C1=CC=C(C=C1)COC(=O)NCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2 | This is a description of a molecule: The molecule is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of N-carbobenzyloxy-glycylglycyl-L-arginine with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is a N-(2-naphthyl)carboxamide and a tripeptide. Generat... | <graph>g_137molecule#node#0#6molecule#edge#0g_138molecule#node#0#5molecule#edge#0#0g_139molecule#node#0#5molecule#edge#0#0g_140molecule#node#0#6molecule#edge#0#0g_141molecule#node#0#5molecule#edge#0#0g_142molecule#node#0#5molecule#edge#0#0g_143molecule#node#0#6molecule#edge#0#0g_144molecule#node#0#5molecule#edge#0#0g_1... |
10,076,238 | C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O | This is a description of a molecule: The molecule is a member of flavonoids and a glycoside.
The molecule is a natural product found in Paeonia lactiflora, Glycyrrhiza glabra, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_439molecule#node#0#5molecule#edge#0g_440molecule#node#0#5molecule#edge#0#3g_441molecule#node#0#5molecule#edge#0#0g_442molecule#node#0#5molecule#edge#0#0g_443molecule#node#0#5molecule#edge#0#0g_444molecule#node#0#7molecule#edge#0#1g_443molecule#node#0#5molecule#edge#0#1g_445molecule#node#0#5molecule#edge#0#0g_4... |
10,078,587 | C[C@@H](C[C@H]([C@H]1C(O1)(C)C)O)[C@@H]2CC[C@@]34[C@@]2(C3)CC[C@H]5[C@]4([C@@H](C[C@@H]6[C@@]5(CC[C@H](C6(C)C)OC(=O)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)C)O)O)O)C | This is a description of a molecule: The molecule is a triterpenoid saponin that is 24,25-epoxy-13,30-cyclodammarane-3,7,23-triol esterified to the corresponding acetate at position 3 and attached to a 6-O-acetyl-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum i... | <graph>g_410molecule#node#0#5molecule#edge#0g_411molecule#node#0#5molecule#edge#0#0g_412molecule#node#0#7molecule#edge#0#0g_411molecule#node#0#5molecule#edge#0#0g_413molecule#node#0#5molecule#edge#0#0g_414molecule#node#0#7molecule#edge#0#0g_413molecule#node#0#5molecule#edge#0#0g_415molecule#node#0#5molecule#edge#0#0g_4... |
10,084,612 | CC(C)(C1=CC2=CC(=C3C=COC=CC3=C2O1)OC)O | This is a description of a molecule: The molecule is a natural product found in Perilla frutescens var. crispa, Perilla frutescens var. acuta, and Perilla frutescens with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_396molecule#node#0#5molecule#edge#0g_397molecule#node#0#5molecule#edge#0#3g_398molecule#node#0#5molecule#edge#0#3g_399molecule#node#0#5molecule#edge#0#3g_400molecule#node#0#5molecule#edge#0#3g_401molecule#node#0#5molecule#edge#0#0g_402molecule#node#0#5molecule#edge#0#0g_401molecule#node#0#5molecule#edge#0#0g_4... |
10,087,098 | COC(=O)C1=C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O | This is a description of a molecule: The molecule is a member of the class of 1-benzofurans that is 1-benzofuran substituted by hydroxy groups at positions 4 and 6, a 3,4-dihydroxyphenyl group at position 2 and a methoxy carbonyl at position 3. Isolated from black colored rice bran of Oryza sativa, it exhibits antioxid... | <graph>g_251molecule#node#0#5molecule#edge#0g_252molecule#node#0#5molecule#edge#0#3g_253molecule#node#0#5molecule#edge#0#3g_254molecule#node#0#5molecule#edge#0#0g_255molecule#node#0#5molecule#edge#0#3g_256molecule#node#0#5molecule#edge#0#0g_257molecule#node#0#7molecule#edge#0#0g_258molecule#node#0#5molecule#edge#0#0g_2... |
10,087,123 | CC(=CCC[C@@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C | This is a description of a molecule: The molecule is an O-acyl carbohydrate.
The molecule is a natural product found in Perilla frutescens and Jasminum sambac with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_24molecule#node#0#7molecule#edge#0g_25molecule#node#0#5molecule#edge#0#0g_26molecule#node#0#5molecule#edge#0#0g_27molecule#node#0#5molecule#edge#0#0g_28molecule#node#0#7molecule#edge#0#0g_27molecule#node#0#5molecule#edge#0#0g_29molecule#node#0#5molecule#edge#0#0g_30molecule#node#0#7molecule#edge#0#0g_29molecul... |
10,087,472 | CCO[C@H](C1=C(C=C2C(=C1)C=CC(=O)O2)OC)[C@H](C(C)(C)O)O | This is a description of a molecule: The molecule is a member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1-ethoxy-2,3-dihydroxy-3-methylbutyl group (the R,R stereoisomer). Originally isolated from the roots of Angelica pubescens, angelol J shows strong... | <graph>g_198molecule#node#0#5molecule#edge#0g_199molecule#node#0#5molecule#edge#0#3g_200molecule#node#0#5molecule#edge#0#3g_201molecule#node#0#5molecule#edge#0#3g_202molecule#node#0#7molecule#edge#0#0g_203molecule#node#0#5molecule#edge#0#0g_202molecule#node#0#7molecule#edge#0#0g_201molecule#node#0#5molecule#edge#0#0g_2... |
10,088,114 | C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C(=O)O | This is a description of a molecule: The molecule is a glycoside.
The molecule is a natural product found in Ribes uva-crispa, Ribes rubrum, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_467molecule#node#0#5molecule#edge#0g_468molecule#node#0#5molecule#edge#0#3g_469molecule#node#0#5molecule#edge#0#0g_470molecule#node#0#7molecule#edge#0#1g_469molecule#node#0#5molecule#edge#0#1g_471molecule#node#0#7molecule#edge#0#0g_469molecule#node#0#5molecule#edge#0#0g_468molecule#node#0#5molecule#edge#0#0g_4... |
10,089,048 | CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=C(C=C(C=C3)C4=NN=C(O4)C)C | This is a description of a molecule: The molecule is a member of the class of biphenyls that is biphenyl in which one of the phenyl groups is substituted at positions 2and 4 by a methyl and a 5-methyl-1,3,4-oxadiazol-2-yl groups, respectively, while the other phenyl group is substituted at positions 2 and 5 by a methyl... | <graph>g_124molecule#node#0#5molecule#edge#0g_125molecule#node#0#5molecule#edge#0#0g_126molecule#node#0#5molecule#edge#0#3g_127molecule#node#0#5molecule#edge#0#0g_126molecule#node#0#5molecule#edge#0#0g_128molecule#node#0#5molecule#edge#0#3g_129molecule#node#0#5molecule#edge#0#3g_130molecule#node#0#5molecule#edge#0#3g_1... |
10,089,592 | COC1=C(C=C(C=C1)[C@@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC5=C(C=C4)OCO5)O | This is a description of a molecule: The molecule is a natural product found in Piper mullesua, Asarum heterotropoides, and Asarum heterotropoides var. mandshuricum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_465molecule#node#0#5molecule#edge#0g_466molecule#node#0#5molecule#edge#0#3g_467molecule#node#0#5molecule#edge#0#0g_468molecule#node#0#5molecule#edge#0#0g_469molecule#node#0#5molecule#edge#0#0g_470molecule#node#0#7molecule#edge#0#0g_471molecule#node#0#5molecule#edge#0#0g_472molecule#node#0#5molecule#edge#0#0g_4... |
10,089,677 | C1=CN=C(C2=C1NC(=N2)N)C3=CC(=C(N3)Br)Br | This is a description of a molecule: The molecule is an imidazopyridine that is 1H-imidazo[4,5-c]pyridin-2-amine substituted by a 4,5-dibromo-1H-pyrrol-2-yl group at position 4. It is an alkaloid isolated from a marine sponge Agelas nakamurai and acts as an inhibitor of the matrix metalloproteinases, the key enzymes in... | <graph>g_373molecule#node#0#6molecule#edge#0g_374molecule#node#0#5molecule#edge#0#3g_375molecule#node#0#5molecule#edge#0#3g_376molecule#node#0#5molecule#edge#0#3g_377molecule#node#0#5molecule#edge#0#3g_376molecule#node#0#5molecule#edge#0#3g_378molecule#node#0#6molecule#edge#0#3g_379molecule#node#0#5molecule#edge#0#3g_3... |
10,089,763 | CC1([C@@H]2C[C@@]3(CC(=O)C(=C4[C@H]1C5=C(C=C(C=C5)O)O[C@H]4O)[C@@H]2[C@H]3O)O)C | This is a description of a molecule: The molecule is a member of phenols, a cyclic ketone, a cyclic ether, an organic heteropentacyclic compound and a tetrol. It has a role as a plant metabolite and a phytoestrogen. It is functionally related to a miroestrol. Generate this molecule graph between <graph> </graph>: | <graph>g_42molecule#node#0#5molecule#edge#0g_43molecule#node#0#5molecule#edge#0#0g_44molecule#node#0#5molecule#edge#0#0g_45molecule#node#0#5molecule#edge#0#0g_46molecule#node#0#5molecule#edge#0#0g_47molecule#node#0#5molecule#edge#0#0g_48molecule#node#0#5molecule#edge#0#0g_47molecule#node#0#5molecule#edge#0#0g_49molecul... |
10,092,969 | CC(=CCC1=C2C(=C(C(=C1O)O)O)OC3=CC4=C(CC(O4)C(=C)C)C(=C3C2=O)O)C | This is a description of a molecule: The molecule is an organic heterotetracyclic compound that is 2,3-dihydro-5H-furo[3,2-b]xanthen-5-one substituted by hydroxy groups at positions 4, 7, 8 and 9, an isoprenyl group at position 6 and a prop-1-en-2-yl group at position 2. It is isolated from Cratoxylum Sumatranum and ex... | <graph>g_176molecule#node#0#5molecule#edge#0g_177molecule#node#0#5molecule#edge#0#0g_176molecule#node#0#5molecule#edge#0#0g_178molecule#node#0#5molecule#edge#0#1g_179molecule#node#0#5molecule#edge#0#0g_180molecule#node#0#5molecule#edge#0#0g_181molecule#node#0#5molecule#edge#0#3g_182molecule#node#0#5molecule#edge#0#3g_1... |
10,095,180 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | This is a description of a molecule: The molecule is a kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a metabolite, a radical scavenger and a plant metabolite. It is a beta-D-glucoside, a kaempferol O-glucoside, a monosacchar... | <graph>g_345molecule#node#0#5molecule#edge#0g_346molecule#node#0#5molecule#edge#0#3g_347molecule#node#0#5molecule#edge#0#3g_348molecule#node#0#5molecule#edge#0#3g_349molecule#node#0#5molecule#edge#0#0g_350molecule#node#0#5molecule#edge#0#3g_351molecule#node#0#7molecule#edge#0#0g_350molecule#node#0#5molecule#edge#0#0g_3... |
10,098 | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)NC1 | This is a description of a molecule: The molecule is a member of piperidines.
The molecule is a natural product found in Veratrum stamineum, Veratrum grandiflorum, and other organisms with data available.
The molecule is a steroidal alkaloid with molecular formula C27H39NO3 which is derived from the Veratrum plant genu... | <graph>g_231molecule#node#0#7molecule#edge#0g_232molecule#node#0#5molecule#edge#0#1g_233molecule#node#0#5molecule#edge#0#0g_234molecule#node#0#5molecule#edge#0#0g_235molecule#node#0#5molecule#edge#0#0g_236molecule#node#0#5molecule#edge#0#0g_237molecule#node#0#5molecule#edge#0#1g_238molecule#node#0#5molecule#edge#0#0g_2... |
10,100 | CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C | This is a description of a molecule: The molecule is the (1S,2R)-(+)-diastereoisomer of propoxyphene. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is an enantiomer of a levopropoxyphene.
The molecule is an opioid analgesic manufactured by Eli Lilly and Company. It is used in the symptomatic... | <graph>g_216molecule#node#0#5molecule#edge#0g_217molecule#node#0#5molecule#edge#0#3g_218molecule#node#0#5molecule#edge#0#3g_219molecule#node#0#5molecule#edge#0#0g_220molecule#node#0#7molecule#edge#0#0g_221molecule#node#0#5molecule#edge#0#0g_222molecule#node#0#5molecule#edge#0#0g_223molecule#node#0#5molecule#edge#0#0g_2... |
101,008,731 | CC(C[C@H]1CCC2=C(C3=C(C(=C2O1)O)C(=O)C(=CC3=O)OC)O)O | This is a description of a molecule: The molecule is a natural pigment produced by fungi, major tautomer defined by heteronuclear multiple bond correlation (HMBC). It is functionally related to a 1,4-naphthoquinone. Generate this molecule graph between <graph> </graph>: | <graph>g_140molecule#node#0#5molecule#edge#0g_141molecule#node#0#5molecule#edge#0#0g_142molecule#node#0#5molecule#edge#0#0g_143molecule#node#0#5molecule#edge#0#0g_144molecule#node#0#5molecule#edge#0#0g_145molecule#node#0#5molecule#edge#0#0g_146molecule#node#0#5molecule#edge#0#0g_147molecule#node#0#5molecule#edge#0#3g_1... |
10,101 | CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O | This is a description of a molecule: The molecule is a member of piperidines.
The molecule is a powerful opioid analgesic. It also has some NMDA-antagonist properties. This makes it useful for some types of pain that don't respond well to other opioids. The most commonly cited equalisation ratio for analgesic doses is ... | <graph>g_411molecule#node#0#7molecule#edge#0g_412molecule#node#0#5molecule#edge#0#1g_413molecule#node#0#5molecule#edge#0#0g_414molecule#node#0#5molecule#edge#0#0g_413molecule#node#0#5molecule#edge#0#0g_412molecule#node#0#5molecule#edge#0#0g_415molecule#node#0#5molecule#edge#0#0g_416molecule#node#0#5molecule#edge#0#0g_4... |
10,101,210 | C[C@@H](C[C@H]([C@@H](C(C)(C)O)O)O)[C@@H]1CC[C@@]23[C@@]1(C2)CC[C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C | This is a description of a molecule: The molecule is a triterpenoid saponin that is 13,30-cyclodammarane-3,7,23,24,25-pentol esterified to the corresponding acetate at position 3 and attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Dysoxylum cumingianum, it exhibits anti... | <graph>g_277molecule#node#0#5molecule#edge#0g_278molecule#node#0#5molecule#edge#0#0g_279molecule#node#0#5molecule#edge#0#0g_280molecule#node#0#5molecule#edge#0#0g_281molecule#node#0#5molecule#edge#0#0g_282molecule#node#0#5molecule#edge#0#0g_283molecule#node#0#5molecule#edge#0#0g_282molecule#node#0#5molecule#edge#0#0g_2... |
101,024,995 | CC1=C(C(CC([C@@H]1O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)C(CC2(C)C)O)C)/C)/C | This is a description of a molecule: The molecule is a xanthophyll.
The molecule is a natural product found in Gelliodes callista and Salvelinus alpinus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_505molecule#node#0#5molecule#edge#0g_506molecule#node#0#5molecule#edge#0#1g_507molecule#node#0#5molecule#edge#0#0g_508molecule#node#0#5molecule#edge#0#1g_509molecule#node#0#5molecule#edge#0#0g_510molecule#node#0#5molecule#edge#0#1g_511molecule#node#0#5molecule#edge#0#0g_0molecule#node#0#5molecule#edge#0#1g_1mo... |
10,103,058 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([... | This is a description of a molecule: The molecule is a branched amino nonasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at positions 3 and 6 by beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man groups. It is an amino sugar, a glucosamine oligos... | <graph>g_463molecule#node#0#5molecule#edge#0g_464molecule#node#0#5molecule#edge#0#0g_465molecule#node#0#7molecule#edge#0#0g_466molecule#node#0#5molecule#edge#0#0g_467molecule#node#0#5molecule#edge#0#0g_468molecule#node#0#7molecule#edge#0#0g_469molecule#node#0#5molecule#edge#0#0g_470molecule#node#0#5molecule#edge#0#0g_4... |
10,103,306 | C(CC(=O)N)C(C(=O)O)O | This is a description of a molecule: The molecule is a dicarboxylic acid monoamide that is 5-amino-5-oxopentanoic acid carrying a hydroxy group at position 2. It is a metabolite identified in human breast milk. It has a role as a human metabolite. It is a dicarboxylic acid monoamide and a 2-hydroxy monocarboxylic acid.... | <graph>g_109molecule#node#0#7molecule#edge#0g_110molecule#node#0#5molecule#edge#0#1g_111molecule#node#0#5molecule#edge#0#0g_112molecule#node#0#5molecule#edge#0#0g_113molecule#node#0#5molecule#edge#0#0g_114molecule#node#0#5molecule#edge#0#0g_115molecule#node#0#7molecule#edge#0#1g_114molecule#node#0#5molecule#edge#0#1g_1... |
10,103,438 | C1=CC2=C(C=C1O)NC=C2C=O | This is a description of a molecule: The molecule is a member of hydroxyindoles.
The molecule is a natural product found in Cyclocybe cylindracea, Haliclona oculata, and Agrocybe cylindracea with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_508molecule#node#0#5molecule#edge#0g_509molecule#node#0#5molecule#edge#0#0g_510molecule#node#0#5molecule#edge#0#3g_511molecule#node#0#5molecule#edge#0#3g_0molecule#node#0#5molecule#edge#0#3g_1molecule#node#0#5molecule#edge#0#3g_2molecule#node#0#7molecule#edge#0#0g_1molecule#node#0#5molecule#edge#0#0g_3molecule... |
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