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Cilazapril monohydrate is a hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure. It has a role as an antihypertensive agent, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and a prodrug. It contains a cilazapril. | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O.O | 1 |
(9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione is a member of acetophenones. | CC1=C(C(=C2C(=C1O)[C@]3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O | 1 |
Hatomarubigin B is an angucycline. | C[C@H]1CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C=CC(=C4C3=O)O)OC | 1 |
Lysergic acid is an ergoline alkaloid comprising 6-methylergoline having additional unsaturation at the 9,10-position and a carboxy group at the 8-position. It derives from a hydride of a 6-methylergoline. | CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)O | 1 |
2-Methylaminoadenosine is a purine nucleoside. | CNC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N | 1 |
N5-Dinitrophenyl-L-ornithine methyl ester is an alpha-amino acid ester. | COC(=O)[C@H](CCCN(C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])N | 1 |
Centrolobine is a diarylheptanoid. | COC1=CC=C(C=C1)[C@@H]2CCC[C@@H](O2)CCC3=CC=C(C=C3)O | 1 |
Ac-D-Phe-betaAla-L-His-D-Pro-NH2 is a tetrapeptide comprising N(2)-acetyl-D-phenylalanine, beta-alanine, L-histidine and D-prolinamide residues coupled in sequence. | CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCCC(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@@H]3C(=O)N | 1 |
(2S)-2-Amino-5-[[(2S)-2-aminobutanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid is a peptide. | CC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N | 1 |
Caseadine is an alkaloid. | COC1=C(C2=C(CCN3[C@H]2CC4=CC(=C(C=C4C3)OC)OC)C=C1)O | 1 |
3-phosphoshikimic acid is a phosphoshikimic acid. It has a role as an Escherichia coli metabolite. It is functionally related to a shikimic acid. It is a conjugate acid of a 3-phosphonatoshikimate(3-). | C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O | 1 |
Levcromakalim is a 1-benzopyran. | CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C | 1 |
Oxandrolone is a 3-oxo steroid, an oxa-steroid, a 17beta-hydroxy steroid and an anabolic androgenic steroid. It has a role as an androgen and an anabolic agent. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C | 1 |
Lupanine is the delta-lactam obtained by formal oxidation at the 2-position of sparteine. The major alkaloid from the seeds of Lupinus exaltatus, L. mexicanus and L. rotundiflorus, it is among the most important of the tetracyclic quinolizidine alkaloids. It is a quinolizidine alkaloid, a tertiary amine and a delta-lactam. It is a conjugate base of a lupanine(1+). It derives from a hydride of a sparteine. | C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CCCC4=O | 1 |
(-)-cubebin is a lignan that consists of tetrahydrofuran-2-ol substituted by two 1,3-benzodioxol-5-ylmethyl groups at positions 3 and 4 respectively (the 2S,3R,4R stereoisomer). It is isolated from the leaves of Piper nigrum and exhibits analgesic, anti-inflammatory, antimicrobial and trypanocidal activities. It has a role as an antimicrobial agent, a trypanocidal drug, an anti-inflammatory agent, an analgesic, a histamine antagonist and a plant metabolite. It is a lignan, a member of benzodioxoles, a secondary alcohol, a cyclic acetal and a lactol. | C1[C@@H]([C@H]([C@H](O1)O)CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5 | 1 |
2-methoxy-17beta-estradiol 3-sulfate is a steroid sulfate. It is functionally related to a 17beta-estradiol. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)O | 1 |
Oxazinomycin is a C-glycosyl compound. | C1=C(C(=O)NC(=O)O1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | 1 |
Ammothamnine is an alkaloid and a tertiary amine oxide. | C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-] | 1 |
Optochin is a cinchona alkaloid consisting of 10,11-dihydrocinchonan bearing hydroxy and ethoxy substituents at positions 9 and 6' respectively. It has a role as an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor. It is a cinchona alkaloid and an aromatic ether. It is functionally related to a cinchonan. | CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OCC)O | 1 |
Haplophyllidine is an aromatic ether. | CC(=CC[C@@]1([C@@H](CCC2=C1N=C3C(=C2OC)C=CO3)O)OC)C | 1 |
(6R,7R)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is a cephalosporin. | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N | 1 |
Sangivamycin is a nucleoside analogue that is adenosine in which the nitrogen at position 7 is replaced by a carbamoyl-substituted carbon. It is a potent inhibitor of protein kinase C. It has a role as a protein kinase inhibitor. It is functionally related to an adenosine. | C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N | 1 |
18-Hydroxy-11-dehydrotetrahydrocorticosterone is a 21-hydroxy steroid. | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O | 1 |
Murolic acid is a long-chain fatty alcohol. | C[C@H](CCCCCCCCCCCCC[C@@H]1[C@H](C(=C)C(=O)O1)C(=O)O)O | 1 |
Norethindrone enanthate is a steroid ester. | CCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C | 1 |
Keto-3-deoxy-D-manno-octulosonic acid is a 3-deoxy-D-manno-octulosonic acid. It is a conjugate acid of a keto-3-deoxy-D-manno-octulosonate. | C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=O)C(=O)O | 1 |
5a-Tetrahydrocorticosterone is a corticosteroid hormone. | C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O | 1 |
Paliclavine is an alkaloid. | CC(=C)[C@@H]([C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)O | 1 |
Tyr-Leu is a dipeptide formed from L-tyrosine and L-leucine residues. It has a role as a metabolite. | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N | 1 |
Gibberellin A44 diacid is a dicarboxylic acid and a C20-gibberellin. It is a conjugate acid of a gibberellin A44 (2-) (diacid form). | C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)O)CO)C(=O)O | 1 |
Cephapirin is a cephalosporin with acetoxymethyl and 2(pyridin-4-ylsulfanyl)acetamido substituents at positions 3 and 7, respectively, of the cephem skeleton. It is used (as its sodium salt) as an antibiotic, being effective against gram-negative and gram-positive organisms. It has a role as an antibacterial drug. It is a conjugate acid of a cephapirin(1-). | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O | 1 |
D-thyroxine is the D-enantiomer of thyroxine. It is a thyroxine and a D-tyrosine derivative. It is an enantiomer of a L-thyroxine. | C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@H](C(=O)O)N | 1 |
N-acetyl-D-glucosaminitol is a 2-deoxyhexitol derivative that is D-glucitol in which the 2-hydroxy substituent is replaced by an acetamido group. | CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O | 1 |
(3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is a N-arylpiperazine. | C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54 | 1 |
4'-methoxy-5,7-dihydroxyflavanone is a dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4' (the 2S stereoisomer). It has a role as a plant metabolite. It is a dihydroxyflavanone, a monomethoxyflavanone, a member of 4'-methoxyflavanones and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. | COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O | 1 |
Mitomycin C is a mitomycin. It has a role as an antineoplastic agent and an alkylating agent. It is a conjugate acid of a mitomycin C(1-). | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N | 1 |
1,2-dilauroyl-sn-glycerol is a 1,2-diglyceride. | CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC | 1 |
11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione is a corticosteroid hormone. | C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)(C)O)C)C(=O)C | 1 |
Phorbol 13-butanoate is a phorbol ester, a butyrate ester and a tertiary alpha-hydroxy ketone. | CCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2O)C)O)C=C(C4=O)C)O)CO | 1 |
Celastrol is a pentacyclic triterpenoid that is 24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid bearing an oxo substituent at position 2, a hydroxy substituent at position 3 and two methyl groups at positions 9 and 13. An antioxidant and anti-inflammatory agent. Potently inhibits lipid peroxidation in mitochondria and inhibits TNF-alpha-induced NFkappaB activation. Also shown to inhibit topoisomerase II activity in vitro (IC50 = 7.41 muM). It has a role as an antioxidant, an anti-inflammatory drug, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an antineoplastic agent, a Hsp90 inhibitor and a metabolite. It is a pentacyclic triterpenoid and a monocarboxylic acid. | CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O | 1 |
1-O-(indol-3-ylacetyl)-beta-D-glucose is an indoleacetic acid ester conjugate and an indolyl carbohydrate. It is functionally related to a beta-D-glucose. | C1=CC=C2C(=C1)C(=CN2)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | 1 |
L-2-Aminoadipate adenylate is a dicarboxylic acid. | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCC[C@@H](C(=O)O)N)O)O)N | 1 |
17beta-estradiol 3-benzoate is a benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol. It has a role as a xenoestrogen and an estrogen receptor agonist. It is a benzoate ester and a 17beta-hydroxy steroid. It is functionally related to a 17beta-estradiol. | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 | 1 |
Acromelic acid C is a dicarboxylic acid, a pyrrolidinecarboxylic acid and a proline derivative. | C1[C@@H]([C@@H]([C@H](N1)C(=O)O)CC(=O)O)C2=CNC(=O)C=C2 | 1 |
D-fructofuranose 1,6-bisphosphate is the furanose form of D-fructose 1,6-bisphosphate. It is functionally related to a D-fructofuranose. It is a conjugate acid of a D-fructofuranose 1,6-bisphosphate(4-). | C([C@@H]1[C@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O | 1 |
Agrobactin is a member of salicylamides. | C[C@@H]1[C@H](N=C(O1)C2=C(C(=CC=C2)O)O)C(=O)N(CCCCNC(=O)C3=C(C(=CC=C3)O)O)CCCNC(=O)C4=C(C(=CC=C4)O)O | 1 |
DXTP is a purine ribonucleoside triphosphate. | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=O)NC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O | 1 |
Tirofiban is a member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group. It has a role as a fibrin modulating drug, a platelet glycoprotein-IIb/IIIa receptor antagonist and an anticoagulant. It is a member of piperidines, a sulfonamide and a L-tyrosine derivative. | CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O | 1 |
Swertiamarin is a glycoside. | C=C[C@H]1[C@@H](OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O | 1 |
7-deaza-cAMP is a nucleoside 3',5'-cyclic phosphate that is cAMP in which the nitrogen atom at position 7 on the purine fragment is replaced by a methine (C-H) group. It is a N-glycosylpyrrolopyrimidine, a ribonucleotide and a nucleoside 3',5'-cyclic phosphate. It is functionally related to a tubercidin. | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)OP(=O)(O1)O | 1 |
Biapenem is a carbapenem antibiotic in which the azetidine and pyrroline rings carry 1-hydroxymethyl and pyrazolo[1,2-a][1,2,4]triazolium-6-ylthio substituents respectively. It has a role as an antibacterial drug. It is a member of carbapenems, a pyrazolotriazole and an organic sulfide. | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)[O-])[C@@H](C)O | 1 |
(+)-Mecambroline is an aporphine alkaloid. | CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C=C(C=C5)O)OCO3 | 1 |
Kaur-16-en-18-al is a kaurane diterpenoid. | C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)C)C=O | 1 |
Peramivir is a member of the class of guanidines that is used (as its trihydrate) for the treatment of acute uncomplicated influenza in patients 18 years and older who have been symptomatic for no more than two days. It has a role as an antiviral drug and an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor. It is a member of cyclopentanols, a member of acetamides, a member of guanidines and a 3-hydroxy monocarboxylic acid. It contains a peramivir hydrate. | CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)N=C(N)N)NC(=O)C | 1 |
(S)-scoulerine is a berberine alkaloid isolated from Corydalis saxicola. It has a role as an EC 5.99.1.2 (DNA topoisomerase) inhibitor and a plant metabolite. It is an organic heterotetracyclic compound and a berberine alkaloid. | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O | 1 |
17,17-Dimethyl-18-norandrosta-4,13-dien-3-one is an oxo steroid. | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CCC4=C3CCC4(C)C | 1 |
Elcometrine is a corticosteroid hormone. | CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)C | 1 |
21-deoxycortisol is a deoxycortisol that is 17xi-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. It has a role as a human blood serum metabolite and a mouse metabolite. It is an 11beta-hydroxy steroid, a 17alpha-hydroxy-C21-steroid, a tertiary alpha-hydroxy ketone and a deoxycortisol. | CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O | 1 |
Alpha,alpha-trehalose is a trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and a geroprotector. | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O | 1 |
2',3'-Dideoxyadenosine-5-triphosphate is a purine deoxyribonucleoside triphosphate. | C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C(N=CN=C32)N | 1 |
Propicillin is a penicillin. It is a conjugate acid of a propicillin(1-). | CCC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3 | 1 |
Asp-Glu is a dipeptide formed from L-alpha-aspartyl and L-glutamic acid residues. It has a role as a metabolite. | C(CC(=O)O)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N | 1 |
Besigomsin is a tannin. | C[C@@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@@]1(C)O)OC)OC)OC)OC)OCO3 | 1 |
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-glucopyranoside is a monosaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a (6'-O-acetyl)-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis. It has a role as a plant metabolite. It is a dihydroxyanthraquinone, an acetate ester, a monosaccharide derivative and a beta-D-glucoside. It is functionally related to a 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone. | CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O)O)O | 1 |
Lys-Ala-Lys is an oligopeptide. | C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N | 1 |
ATP is an adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. It has a role as a nutraceutical, a micronutrient, a fundamental metabolite and a cofactor. It is an adenosine 5'-phosphate and a purine ribonucleoside 5'-triphosphate. It is a conjugate acid of an ATP(3-). | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | 1 |
3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one is a steroid. It derives from a hydride of a pregnane. | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC)C | 1 |
L-gulonic acid 6-phosphate is a gulonic acid derivative that is L-gulonic acid carrying a phosphate group at position 6. | C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O | 1 |
Dracorubin is a proanthocyanidin isolated from Dracaena draco. It has a role as a plant metabolite. It is a proanthocyanidin and an aromatic ether. | CC1=C2C3=C(C=C(OC3=CC1=O)C4=CC=CC=C4)C5=C6C(=C(C=C5O2)OC)CC[C@H](O6)C7=CC=CC=C7 | 1 |
6alpha-methylprednisolone is the 6alpha-stereoisomer of 6-methylprednisolone. It has a role as an anti-inflammatory drug, a neuroprotective agent, an antiemetic, an adrenergic agent, a xenobiotic and an environmental contaminant. It is a 6-methylprednisolone, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. | C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O | 1 |
Dexbudesonide is a 21-hydroxy steroid. | CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C | 1 |
5alpha-androstane is the 5alpha-stereoisomer of androstane. It has a role as a human metabolite. | C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CCCC[C@@]4([C@H]3CC2)C | 1 |
Cefaloglycin is a cephalosporin antibiotic containing at the 7beta-position of the cephem skeleton an (R)-amino(phenyl)acetamido group. It has a role as an antimicrobial agent. It is a cephalosporin and a beta-lactam antibiotic allergen. | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O | 1 |
Lys-Ser-Lys is an oligopeptide. | C(CCN)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)N | 1 |
Beta-colubrine is a monoterpenoid indole alkaloid that is strychnine in which the hydrogen at position 2 has been replaced by a methoxy group. It is a minor alkaloid from Strychnos nux-vomica. It has a role as a plant metabolite. It is a monoterpenoid indole alkaloid, an organic heteroheptacyclic compound and an aromatic ether. It is functionally related to a strychnine. | COC1=CC2=C(C=C1)N3[C@@H]4[C@]25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6 | 1 |
Gly-Tyr-Lys is an oligopeptide. | C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN)O | 1 |
D-glucaro-1,4-lactone is a delta-lactone that is D-glucono-1,4-lactone in which the hydroxy group at position 6 has been oxidised to the corresponding carboxylic acid. It is a delta-lactone and an aldarolactone. It is functionally related to a D-glucono-1,4-lactone. It is a conjugate acid of a D-glucaro-1,4-lactone(1-). | [C@H]1([C@H](C(=O)O[C@@H]1[C@@H](C(=O)O)O)O)O | 1 |
Ochratoxin B is a phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid. Ochratoxin B differs from the more naturally abundant ochratoxin A in the absence of the dihydroisocoumarin chlorine atom. It has cytotoxic effects on kidney and liver cells in vitro but only minor effects in vivo, due to its rapid metabolism and excretion. It inhibits cell proliferation of human liver HepG2 cells at doses as low as 1 mug/ ml but lacks the genotoxic activity of ochratoxin A, even at higher concentrations. It has a role as an Aspergillus metabolite, a Penicillium metabolite, a mycotoxin and a calcium channel blocker. It is a phenylalanine derivative, a N-acyl-L-phenylalanine, a member of isochromanes and a monocarboxylic acid. It is a conjugate acid of an ochratoxin B(1-). | C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1 | 1 |
D-galactonic acid is a galactonic acid compound having D-configuration. It is a conjugate acid of a D-galactonate. It is an enantiomer of a L-galactonic acid. | C([C@H]([C@@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O | 1 |
Cefadroxil monohydrate is the hydrate that is the monohydrate of the cephalosporin cefadroxil. It contains a cefadroxil. | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O.O | 1 |
15alpha-hydroxyestradiol is a 3-hydroxy steroid that is 17beta-estradiol substituted by an alpha-hydroxy group at position 15. It has a role as a human xenobiotic metabolite and a marine xenobiotic metabolite. It is a 15alpha-hydroxy steroid, a 17beta-hydroxy steroid, a 3-hydroxy steroid and a member of phenols. It is functionally related to a 17beta-estradiol. It derives from a hydride of an estrane. | C[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](C[C@@H]2O)O)CCC4=C3C=CC(=C4)O | 1 |
Gly-Tyr-Ala is an oligopeptide. | C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CN | 1 |
DXDP is a purine ribonucleoside diphosphate. | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=O)NC3=O)COP(=O)(O)OP(=O)(O)O)O | 1 |
Lefetamine hydrochloride is a stilbenoid. | C[NH+](C)[C@H](CC1=CC=CC=C1)C2=CC=CC=C2.[Cl-] | 1 |
LSM-2963 is an organooxygen compound. It is functionally related to a tetracarboxylic acid. | CCC[C@H]1CC2=C(C[C@H](CC3=C1C(=O)OC3=O)CC)C(=O)OC2=O | 1 |
Cholestane-3,5,6-triol is a cholestanoid. | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4([C@@]3(CCC(C4)O)C)O)O)C | 1 |
Artecanin is a sesquiterpene lactone. | C[C@]1(CC[C@@H]2[C@@H]([C@@H]3[C@]14[C@H](O4)[C@H]5[C@@]3(O5)C)OC(=O)C2=C)O | 1 |
3,17-dioxoandrost-4-en-19-al is an androstanoid that is androst-4-en-19-al substituted by oxo groups at positions 3 and 17. It has a role as a human metabolite. It is a 17-oxo steroid, a 19-oxo steroid, an androstanoid, a steroid aldehyde and a 3-oxo-Delta(4) steroid. It is functionally related to an androst-4-ene-3,17-dione. | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34C=O | 1 |
(+)-catechin 7-O-beta-D-xyloside is a monosaccharide derivative that is (+)-catechin substituted by a beta-D-xylopyranosyl moiety at position 7 via a glycosidic linkage. It is a beta-D-xyloside and a monosaccharide derivative. It is functionally related to a (+)-catechin. | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)C4=CC(=C(C=C4)O)O)O | 1 |
Glycyphyllin is an alpha-L-rhamnoside. It is functionally related to a phloretin. | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=CC(=C2C(=O)CCC3=CC=C(C=C3)O)O)O)O)O)O | 1 |
15alpha-hydroxytestosterone is an androstanoid that is testosterone substituted by a alpha-hydroxy group at position 15. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has a role as a Daphnia magna metabolite and an androgen. It is a 3-oxo-Delta(4) steroid, a 17beta-hydroxy steroid, a 15alpha-hydroxy steroid and an androstanoid. It is functionally related to a testosterone. | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O)O)C | 1 |
D-arabino-hex-3-ulose 6-phosphate is a ketohexose monophosphate. It is a conjugate acid of a D-arabino-hex-3-ulose 6-phosphate(2-). | C([C@H](C(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)O)O | 1 |
Bryodulcosigenin is a cucurbitacin. | C[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)C)C | 1 |
Nomegestrol acetate is a corticosteroid hormone. | CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@H]4C1=CC(=O)CC4 | 1 |
(3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one is a member of isoquinolines. | CN1CCC2=CC3=C(C(=C2[C@@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 | 1 |
(25R)-24R,26R-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol is a cholestanoid. | C[C@@H]1C[C@H]1[C@H](C)CC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C | 1 |
Glucosyloxyanthraquinone is a monosaccharide derivative that is anthracene-9,10-dione substituted by a beta-D-glucopyranosyloxy group at position 1. It is an anthraquinone, a beta-D-glucoside and a monosaccharide derivative. | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O | 1 |
5alpha-Androstan-17beta-ol is an androstanoid. | C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C | 1 |
Erythrodiol is a pentacyclic triterpenoid that is beta-amyrin in which one of the hydrogens of the methyl group at position 28 has been replaced by a hydroxy group. It is a plant metabolite found in olive oil as well as in Rhododendron ferrugineum and other Rhododendron species. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a primary alcohol, a secondary alcohol and a diol. It is functionally related to a beta-amyrin. | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)(C)C)O | 1 |
Picrasin G is a triterpenoid. | C[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@]4(CC(=O)O3)O)C)OC)C)C)O | 1 |