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S-adenosylmethioninamine is the S-adenosyl derivative of methioninamine. It acts as the aminopropyl donor in the biosynthesis of the polyamines, spermidine and spermine. It has a role as an Escherichia coli metabolite, a mouse metabolite, a human urinary metabolite and a rat metabolite. It is a sulfonium compound and a member of adenosines. It is functionally related to a 3-methylthiopropylamine. It is a conjugate base of a S-adenosylmethioninaminium. | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C | 0 |
CDP-glycerol is a nucleotide-alditol having cytidine-5'-diphosphate and glycerol as the nucleotide and alditol components respectively. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl | 0 |
Fosamprenavir is a sulfonamide with a structure based on that of sulfanilamide substituted on the sulfonamide nitrogen by a (2R,3S)-4-phenyl-2-(phosphonooxy)-3-({[(3S)-tetrahydrofuran-3-yloxy]carbonyl}amino)butyl group. It is a pro-drug of the HIV protease inhibitor and antiretroviral drug amprenavir. It has a role as a prodrug. It is functionally related to a sulfanilamide. | C(COP(=O)(O)OC[C@H](C(=O)O)N)N=C(N)NP(=O)(O)O | 0 |
Anisodamine is a monocarboxylic acid. | CNC1=NC=NC2=C(NN=C21)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O | 0 |
Clerodin is a diterpenoid isolated from Ajuga bracteosa. It has a role as a plant metabolite. It is an acetate ester, a diterpenoid, a furofuran, a spiro-epoxide and a cyclic acetal. | CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl | 0 |
(11S,13S)-3-Amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate is a quinazoline alkaloid. It is functionally related to a tetrodotoxin. | CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl | 0 |
E64 is an epoxy monocarboxylic acid, a dicarboxylic acid monoamide, a member of guanidines and a L-leucine derivative. It has a role as a protease inhibitor, an antimalarial and an antiparasitic agent. It is a tautomer of an E64 zwitterion. | C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | 0 |
1-(1,2-dioctanoylphosphatidyl)inositol is a phosphatidylinositol. | COC1=C(C=C(C=C1)C[C@@H]2[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4)OC | 0 |
Antibiotic AB3217A is a member of methoxybenzenes. | C1=CC=C(C=C1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O | 0 |
Hyrtial is a scalarane sesterterpenoid with formula C26H40O3, originally isolated from the marine sponge Hyrtios erecta. It has a role as a marine metabolite. It is a scalarane sesterterpenoid, an enal and an acetate ester. | C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)OP(=O)(O)O | 0 |
D-glucuronic acid 3-sulfate is a monosaccharide sulfate that is D-glucuronic acid esterified at O-3 by sulfuric acid. It is functionally related to an aldehydo-D-glucuronic acid. | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4OC)O | 0 |
Alpha-L-gulose is a L-gulopyranose with an alpha-configuration at the anomeric position. It is an enantiomer of an alpha-D-gulose. | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CN)O)O)N | 0 |
1D-myo-inositol 5-phosphate is an inositol having myo- configuration substituted at position 5 by a phosphate group. It is functionally related to a myo-inositol. It is a conjugate acid of a 1D-myo-inositol 5-phosphate(2-). | C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O | 0 |
11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one is a 3-oxo-5alpha-steroid. | C[C@H]1CCCC2=C[C@H]3[C@@H](C[C@]12C)C(=C)C(=O)O3 | 0 |
(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine is a member of indanes. | COC(=O)COC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | 0 |
19-Noraldosterone is a 21-hydroxy steroid. | C([C@H]([C@H]([C@H](C(=O)[C@@H](CO)O)O)O)O)O | 0 |
11beta,17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen. | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)OC | 0 |
1-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having a galloyl group at the 1-position. It is a gallate ester and a galloyl beta-D-glucose. | CC(=O)O[C@@H]1[C@H](C=C2CCN3[C@H]2[C@@H]1C4=CC5=C(C=C4C3)OCO5)O | 0 |
Nivalenol is a trichothecene. | C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)CC1=O)C | 0 |
PR-toxin is an oxacycle. | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)C)O4)C | 0 |
CDP-3,6-dideoxy-D-mannose is a CDP-sugar in which the sugar component is 3,6-dideoxy-D-mannose. It is a conjugate acid of a CDP-3,6-dideoxy-D-mannose(2-). | C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H]([C@H](C3=C(C=C(C=C3O2)O)O)O)O | 0 |
17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol is an androstanoid. | C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O | 0 |
12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one is a 3-hydroxy steroid. It has a role as an androgen. | C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)C(=C)CO)O | 0 |
Sclerosporin is a sesquiterpenoid. | C[C@H](C(=O)O)O[C@H]([C@H](C=O)N)[C@@H]([C@@H](CO)O)O | 0 |
19-Chloro-17beta-hydroxyandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen. | C1[C@@H]([C@H]2[C@H]([C@@H]([C@@H]1O)O)NC(=O)C3=CC4=C(C=C23)OCO4)O | 0 |
21-Hydroxy-5beta-pregnane-3,11,20-trione is a 21-hydroxy steroid. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C3C=CC(=C4)O | 0 |
(2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol is a purine nucleoside. | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CS | 0 |
Corydaline is an isoquinoline alkaloid and a member of isoquinolines. | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)O)C | 0 |
Judeol is a sesquiterpenoid and a benzoate ester. | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C | 0 |
Brazilin is a organic heterotetracyclic compound that is a red pigment obtained from the wood of Caesalpinia echinata (Brazil-wood) or Caesalpinia sappan (sappan-wood). It has a role as a plant metabolite, a histological dye, an antineoplastic agent, a biological pigment, an anti-inflammatory agent, an apoptosis inducer, an antioxidant, an antibacterial agent, a NF-kappaB inhibitor and a hepatoprotective agent. It is an organic heterotetracyclic compound, a member of catechols and a tertiary alcohol. | C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O | 0 |
Taxodione is a diterpenoid. | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N | 0 |
16alpha-hydroxydehydroepiandrosterone is a 16alpha-hydroxy steroid, a 17-oxo steroid, an androstanoid, a 3beta-hydroxy-Delta(5)-steroid and a secondary alpha-hydroxy ketone. It has a role as a human metabolite and a mouse metabolite. | CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-] | 0 |
Estriol tripropionate is a steroid ester. | CC[C@]12C[C@@]([C@H]3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3C)C=C(C=C5)OC)(C(=O)OC)O | 0 |
Styraxin is a lignan. | COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | 0 |
3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one is a steroid ester. | C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O | 0 |
Taxodone is a diterpenoid. | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C[C@@H](C(=O)O)N | 0 |
B-norcholesterol is a 3beta-hydroxy steroid that is cholesterol in which a methylene (CH2) group has been removed from the B-ring. It is a 3beta-sterol and a 3beta-hydroxy steroid. | C1N=CC=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | 0 |
Armillarin is a benzoate ester and a sesquiterpenoid. | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O | 0 |
11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate is a corticosteroid hormone. | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(C[C@]4([C@H]3CCC4C(=O)CO)C)O | 0 |
Prednisone is a synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid. It has a role as a prodrug, an anti-inflammatory drug, an antineoplastic agent, an immunosuppressive agent and an adrenergic agent. It is a 20-oxo steroid, an 11-oxo steroid, a 21-hydroxy steroid, a 17alpha-hydroxy steroid, a glucocorticoid, a 3-oxo-Delta(1),Delta(4)-steroid, a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone and a C21-steroid. | CN1[C@H](CC[C@@H]1[C@H]2[C@H](CSS2)O)[C@H]3[C@H](CSS3)O | 0 |
11beta-Chloromethylestradiol is a 3-hydroxy steroid. | CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O | 0 |
Theogallin is a gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). It is a gallate ester, a monocarboxylic acid and a tertiary alcohol. It is functionally related to a gallic acid and a (-)-quinic acid. | CC1=C2C(=C(C=C1)OC)N[C@@](C2=O)(C)[C@@]3(C(=O)C4=C(C=CC(=C4N3)OC)C)C | 0 |
4-(4-styrylphenylcarbamoyl)butyric acid is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxyl groups of glutaric acid with the amino group of 4-aminostilbene. It has a role as an epitope. It is a monocarboxylic acid and a dicarboxylic acid monoamide. It is functionally related to a glutaric acid. It derives from a hydride of a stilbene. | C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)(O)O)O)O)O)O | 0 |
3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid is the alpha-anomer of 3-deoxy-D-manno-oct-2-ulopyranosonic acid. It is a conjugate acid of a 3-deoxy-alpha-D-manno-oct-2-ulosonate. | CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C | 0 |
Barnidipine is a dihydropyridine. | COC1=C(C=C(C=C1O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C(=C4)O)O)O)O)O)O | 0 |
Paraherquamide is an azaspiro compound. | COC1=C(C2=C(C[C@@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC | 0 |
N-Acetylgalactosamine 6-sulfate is a monosaccharide sulfate. | C=CCC1=CC=C(C=C1)OC2=C(C3=C([C@@H]([C@@H](O3)CO)C4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC=C)O)C(=C2)CC=C)O | 0 |
Isobavachin is a member of flavanones. | CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C | 0 |
O-Carbamoyl-deacetylcephalosporin C is a peptide. | CC1([C@H](C[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4CC[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O2)O)C | 0 |
Protoconstipatic acid is a long-chain fatty alcohol. | COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)CCCO | 0 |
4-methylumbelliferone beta-D-glucuronide is a beta-D-glucosiduronic acid having a 4-methylumbelliferyl substituent at the anomeric position. A hyaluronan synthesis inhibitor, it is anti-tumourigenic for various malignant tumours. It has a role as a chromogenic compound, an antineoplastic agent and a hyaluronan synthesis inhibitor. It is a member of coumarins, a monosaccharide derivative and a beta-D-glucosiduronic acid. It is functionally related to a 4-methylumbelliferone. It is a conjugate acid of a 4-methylumbelliferone beta-D-glucuronide(1-). | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O | 0 |
Fluazifop-P is a 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid that has R configuration. It is the active enantiomer of the herbicide fluazifop and is the major metabolite of fluazifop-P-butyl. It has a role as an agrochemical, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor and a phenoxy herbicide. It is an enantiomer of a (S)-fluazifop. | CC1=C2[C@H](C(C=C2C(=O)[C@](C13CC3)(C)O)(C)C)O | 0 |
Tau-fluvalinate is the (2R) diastereomers of fluvalinate. A synthetic pyrethroid insecticide, it is used to control varroa mites in honey bee colonies. It has a role as a pyrethroid ester insecticide and a pyrethroid ester acaricide. | C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O | 0 |
Alpha-peltatin is an organic heterotetracyclic compound that is 4'-demethylpodophyllotoxin which is substituted by a hydroxy group at position 10 but which is lacking the hydroxy group at position 9. It is found as a glucoside in the rhizomes of Podophyllum peltatum. It has a role as a metabolite and an antineoplastic agent. It is a furonaphthodioxole, a gamma-lactone, an organic heterotetracyclic compound, a lignan and a member of phenols. | C=C1CC[C@@]2([C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C)O | 0 |
(2S)-2'-hydroxydemethoxymatteucinol is a trihydroxyflavanone that is demethoxymatteucinol with an additional hydroxy group at position 2'. Isolated from Pisonia aculeata, it exhibits antitubercular activity. It has a role as an antitubercular agent and a plant metabolite. It is functionally related to a matteucinol. | C(CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[C@@H](C(=O)O)N | 0 |
(S)-nitrendipine is a dihydropyridine. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34CO | 0 |
Autumnolide is a sesquiterpene lactone. | CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C | 0 |
Dihydroalterperylenol is a naphthalenone. | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O | 0 |
Paxilline is an indole diterpene alkaloid with formula C27H33NO4 isolated from Penicillium paxilli. It is a potent inhibitor of large conductance Ca2(+)- and voltage-activated K(+) (BK)-type channels. It has a role as a mycotoxin, a Penicillium metabolite, an anticonvulsant, an Aspergillus metabolite, a potassium channel blocker, a genotoxin, a geroprotector and an EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor. It is an organic heterohexacyclic compound, a tertiary alcohol, a terpenoid indole alkaloid, an enone and a diterpene alkaloid. | C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | 0 |
2,6-diamino-2,6-dideoxy-beta-L-idopyranose is a hexosamine that is beta-L-idopyranose in which the hydroxy groups at positions 2 and 6 are replaced by amino groups It is functionally related to a beta-L-idopyranose. | CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)O | 0 |
1-Methylestra-1,3,5(10)-triene-3,17beta-diol is a 3-hydroxy steroid. | COC1=C(C=C2[C@@H]([C@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O | 0 |
9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione is a sesquiterpenoid. | C1=NC(=C2C(=N1)N(C=N2)C[C@H]([C@H](C(=O)O)O)O)N | 0 |
17beta-Carbomethoxyandrost-5-en-3beta-ol is a 3-hydroxy steroid. It has a role as an androgen. | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C | 0 |
3-Hydroxyestra-1,3,5(10)-trien-16-one is a 3-hydroxy steroid. | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C | 0 |
Trans-2-(4-nitrophenyl)-3-phenyloxirane is an epoxide that is oxirane substituted by a phenyl group at position 3 and a 4-nitrophenyl group at position 2 (the trans-isomer). It is an epoxide and a C-nitro compound. | C1=NC(=C2C(=N1)N(N=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N | 0 |
Launobine is an isoquinoline alkaloid. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O | 0 |
(-)-Merulidial is a secondary alcohol. | CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O | 0 |
Rugulovasine A is a member of indoles. | CC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C | 0 |
Quinol glucuronide is a glycoside. | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)N5CCCC5)C)C | 0 |
Butylscopolamine is a carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-3-hydroxy-2-phenylpropanoic acid with the hydroxy group of (2R,4S,5S,7s)-9-butyl-7-hydroxy-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. It has a role as a muscarinic antagonist and an antispasmodic drug. It is a carboxylic ester, an epoxide, a quaternary ammonium ion and a tropane alkaloid. | C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@H](NC6=O)O)NC)OC | 0 |
(3R,4S)-3,4-dihydrophenanthrene-3,4-diol is a cis-3,4-dihydrophenanthrene-3,4-diol. It is an enantiomer of a (3S,4R)-3,4-dihydrophenanthrene-3,4-diol. | C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C | 0 |
17beta-yohimbol is a 17-yohimbol. | CC(=O)O[C@H]1CCC2=CC(=C(C=C2)OC)C3=C(C=CC(=C3)CC[C@H]4C[C@H]5CCC[C@H](C1)N5CO4)O | 0 |
Prunasin is a beta-D-glucoside, a cyanogenic glycoside, a nitrile and a monosaccharide derivative. It is functionally related to a mandelonitrile. | CN1CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=CC(=C(C(=C4C(=O)O3)OC)OC)OC | 0 |
16-Hydroxyprogesterone is a corticosteroid hormone. | CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O | 0 |
Aloperine is an alkaloid. | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)[C@@H]4O)(C)C(=O)O | 0 |
20-hydroxypregn-4-en-3-one is a C21-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and a hydroxy group at position 20. It is a C21-steroid, a 3-oxo-Delta(4) steroid and a 20-hydroxy steroid. It derives from a hydride of a pregnane. | CO[C@@H]1C[C@@]23[C@H](CCN2CCC4=C3C=C(C=C4)OC)C=C1 | 0 |
Terrecyclic acid A is a diterpenoid. | C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)O)C(=O)O | 0 |
(S)-coclaurine is the (S)-enantiomer of coclaurine. It is a conjugate base of a (S)-coclaurinium. It is an enantiomer of a (R)-coclaurine. | CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCNCCCCNCCCN | 0 |
19-hydroxy-5alpha-dihydrotestosterone is an androstanoid that is 5alpha-dihydrotestosterone carrying an additional hydroxy susbstituent at position 19. It has a role as a human urinary metabolite. It is a 19-hydroxy steroid, a 3-oxo-5alpha-steroid, an androstanoid and a 17beta-hydroxy steroid. It is functionally related to a 17beta-hydroxy-5alpha-androstan-3-one. It derives from a hydride of a 5alpha-androstane. | C(CC(=O)N(CC(=O)O)C(=O)[C@H](CSS(=O)(=O)O)N)[C@@H](C(=O)O)N | 0 |
Yellamycin C is a quinone and a member of tetracenes. | CC1=CC[C@H]([C@]2([C@H]1[C@@H]3[C@@H](CC2)C(=C)C(=O)O3)C)O | 0 |
5'-adenylyl sulfate is an adenosine 5'-phosphate having a sulfo group attached to one the phosphate OH groups. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is an adenosine 5'-phosphate, an acyl monophosphate and an acyl sulfate. It is a conjugate acid of a 5'-adenylyl sulfate(2-). | C1CC2=C(C=CC(=C2)F)O[C@H]1[C@@H](CNC[C@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O)O | 0 |
Cinobufotalin is a steroid lactone. It is functionally related to a bufanolide. | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O | 0 |
Damsin is a sesquiterpene lactone. | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC5=C(C4)NC6=CC=CC=C56)C)C | 0 |
Ethynodiol is a 17beta-hydroxy steroid, a 3beta-hydroxy steroid and a terminal acetylenic compound. It has a role as a progestin. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O | 0 |
Cholestan-6-oxo-3,5-diol is a cholestanoid. | CC1=CC(=NO1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O | 0 |
Pristimerin is a carboxylic ester. | C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=C4C=C(C=C5)OC | 0 |
(1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester is a member of tetracenes and a member of p-quinones. | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)CO)COP(=O)(O)OP(=O)(O)O)O | 0 |
Hymexazol N-glucoside is a N-glycosyl compound. | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C | 0 |
Malvidin 3-O-beta-D-glucoside is an anthocyanin cation consisting of malvidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. It has a role as a metabolite. It is a beta-D-glucoside, an anthocyanin cation and an aromatic ether. It is functionally related to a malvidin. It is a conjugate acid of a malvidin 3-O-beta-D-glucoside betaine. | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC | 0 |
5beta-Pregnane-3alpha,17alpha,20alpha-triol is a corticosteroid hormone. | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)OC)C | 0 |
3beta-Hydroxypregn-5-ene is a corticosteroid hormone. | CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C | 0 |
3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate is a cholestanoid. | C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)C(=C4)CO)(C)C(=O)O | 0 |
2-[3-carboxy-3-(methylammonio)propyl]-L-histidine is an ammonium ion that is a derivative of L-histidine having a 3-carboxy-3-(methylammonio)propyl group at the 2-position on the imidazole ring. It is a conjugate acid of a 2-[3-carboxylato-3-(methylammonio)propyl]-L-histidine dizwitterion. | CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N | 0 |
Alpha-Tocopherol acetate is a tocol. | C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O | 0 |
7-hydroxyflavanone 7-O-beta-D-glucoside is a flavanone 7-O-beta-D-glucoside that consists of 7-hydroxyflavanone attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It is a flavanone 7-O-beta-D-glucoside and a monosaccharide derivative. | CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O | 0 |
AI-77-B is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid. | C1=CC=C(C=C1)C[C@@H](C(=O)O)NP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O | 0 |
Vinigrol is a tertiary alcohol. | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O | 0 |
(6R,7R)-7-[[2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a cephalosporin. | CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O | 0 |
3'-dehydro-AMP is a secondary alpha-hydroxy ketone that is adenosine 5'-monophosphate in which the hydroxy group at position 3' is replaced by an oxo group. It is a cyclic ketone, a secondary alpha-hydroxy ketone and a purine ribonucleoside 5'-monophosphate. It is functionally related to an adenosine 5'-monophosphate. | [C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O | 0 |
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid is a bile acid. | C[C@](CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O | 0 |