blc-org/A-secret-data-repo huggingface dataset:
Task: molecular description generation
molecule: O=C(NC(CS)C(=O)O)c1coc(-c2nc3ccccc3cc2O)n1
Answer: The molecule is a natural product found in Streptomyces cyaneofuscatus with data available.
Task: molecular description generation
molecule: CNCC1OCCCCC(C)Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N(C(C)CO)CC1C
Answer: The molecule is an azamacrocycle and a lactam.
Task: molecular description generation
molecule: Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N
Answer: The molecule is an orally bioavailable thiazolidinedione and an agonist of peroxisome proliferator-activated receptor gamma (PPAR-gamma) with potential antineoplastic activity. Efatutazone binds to and activates PPAR-gamma thus inducing cell differentiation and apoptosis, leading to a reduction in cellular proliferation. PPAR-gamma is a nuclear hormone receptor and a ligand-activated transcription factor that controls the expression of genes involved in macromolecule metabolism and cell differentiation, specifically adipocyte differentiation.
Task: molecular description generation
molecule: CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C
Answer: The molecule is an apo carotenoid triterpenoid that is tetracosane containing double bonds at the 2-3, 6-7, 8-9, 10-11, 12-13, 14-15, 18-19, and 22-23 positions, and substituted by methyl groups at positions 2, 6, 10, 15, 19, and 23. It is an apo carotenoid triterpenoid, a triterpene and a polyene.
Task: molecular description generation
molecule: COc1ccc(-c2coc3cc(OC4OC(CO)C(O)C(O)C4O)c(OC)c(O)c3c2=O)cc1O
Answer: The molecule is a natural product found in Iris germanica, Iris domestica, and other organisms with data available.
Task: molecular description generation
molecule: CC1=CC2C(CCC(C)=CCC1)C2(C)C
Answer: The molecule is a natural product found in Halocarpus biformis with data available.
Task: molecular description generation
molecule: O=C(O)C(=O)C(O)C(O)C(=O)CO
Answer: The molecule is a diketoaldonic acid. It has a role as an Escherichia coli metabolite. It is functionally related to a D-gluconic acid. It is a conjugate acid of a 2,5-didehydro-D-gluconate.
Task: molecular description generation
molecule: COc1ccc2cc([N+](=O)[O-])c3c(C(=O)O)cc4c(c3c2c1)OCO4
Answer: The molecule is a natural product found in Aristolochia argentina, Aristolochia clematitis, and other organisms with data available.
Task: molecular description generation
molecule: C=CC(C)(O)C(CC1C(=C)CC(OC(C)=O)C2C(C)(C)C(Br)CCC12C)OC(C)=O
Answer: The molecule is a natural product found in Laurencia with data available.
Task: molecular description generation
molecule: O=C(O)C(=C1OC(=O)C(C2=CC(=O)C3(O)C2C2C(=O)OC4CC(=O)C3C42C2=C(O)C(=C(C(=O)O)c3ccc(O)cc3)OC2=O)=C1O)c1ccc(O)cc1
Answer: The molecule is a natural product found in Chalciporus piperatus with data available.
Task: molecular description generation
molecule: CC12CCC3C(CCC4(O)CC(OC5OC(CO)C(O)C(O)C5O)CCC34C=O)C1(O)CC(O)C2c1ccc(=O)oc1
Answer: The molecule is a natural product found in Drimia elata with data available.
Task: molecular description generation
molecule: C=CC1(C)CC(O)(C(O)C(C)(C)O)Oc2c1c(=O)oc1cccc(C)c21
Answer: The molecule is a natural product found in Ethulia conyzoides with data available.
Task: molecular description generation
molecule: CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C
Answer: The molecule has been previously approved in some eastern European countries under the brand names Pramistar, Neupramir, and Remen. It was also previously approved in the United States with orphan drug designation. Pramiracetam has been studied for the use in Alzheimer's disease and as an adjunct treatment to restore cognitive functioning post-electroconvulsive therapy in severe depression.
Task: molecular description generation
molecule: CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O
Answer: The molecule is a natural product found in Henricia tumida with data available.
Task: molecular description generation
molecule: COc1c(C(=O)CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)ccc2occc12
Answer: The molecule is a glucosiduronic acid.
Task: molecular description generation
molecule: NC(=O)CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: CN1CCC(CN2c3ccccc3Sc3ccccc32)C1
Answer: The molecule is a phenothiazine compound with antihistaminic activity. It is used in the treatment of various dermatoses to relieve pruritus.
Task: molecular description generation
molecule: CC(Cc1ccccc1)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
Answer: The molecule is a purine nucleoside.
Task: molecular description generation
molecule: C=C1C(=O)C23CC1CC(O)C2C1(C)CC(O)C(OC(C)=O)C(C)(C)C1C(OC(C)=O)C3OC(C)=O
Answer: The molecule is a natural product found in Isodon angustifolius with data available.
Task: molecular description generation
molecule: CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1
Answer: The molecule is an amidobenzoic acid.
Task: molecular description generation
molecule: CCC(C)C(N)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: CC=CC=Cc1c(C)c(OC)cc(O)c1O
Answer: The molecule is a methylcatechol that is benzene substituted by hydroxy, hydroxy, (3E)-penta-1,3-dien-1-yl, methyl and methoxy groups at positions 1, 2, 3, 4 and 5, respectively. It is an iron(III)-reducing natural product isolated from the ascomycota Trichoderma harzianum. It has a role as a fungal metabolite. It is a member of methoxybenzenes, a methylcatechol, a polyketide and an olefinic compound.
Task: molecular description generation
molecule: CCCCCCC=CCCCCCCCc1cc(O)cc(O)c1
Answer: The molecule is a natural product found in Ardisia paniculata, Grevillea robusta, and other organisms with data available.
Task: molecular description generation
molecule: CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1
Answer: The molecule is a macrolide.
Task: molecular description generation
molecule: CCC(C)C(NC(=O)C(NC(=O)C(N)CS)C(C)C)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: Cc1c(Cc2ccccc2)c(=O)oc2cc(O)cc(O)c12
Answer: The molecule is a hydroxycoumarin.
Task: molecular description generation
molecule: COc1cc(O)c(C(=O)CC(C)C)cc1C(C)=O
Answer: The molecule is a natural product found in Sargassum thunbergii with data available.
Task: molecular description generation
molecule: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO
Answer: The molecule is a natural product found in Homo sapiens with data available.
Task: molecular description generation
molecule: CC1(C)CC(O)C23C(O)CC4(C)C5(C)CCC6C(C)(C)C(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC4(OC2O)C3C1
Answer: The molecule is a natural product found in Lysimachia capillipes with data available.
Task: molecular description generation
molecule: CCCC1CC=CC=CC=CC=CC(OC2OC(C)C(N)C(O)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O
Answer: The molecule is a natural product found in Streptomyces bicolor with data available.
Task: molecular description generation
molecule: CCC(C)C1N=C(O)C(Cc2ccccc2)N=C(O)C(C(C)C)N=C(O)C2CSSCC3N=C(O)C(CO)N=C(O)C4CSSCC(N=C(O)C5CCCN5C(=O)C(C(C)CC)N=C(O)C(C(C)C)N=C(O)CN=C(O)C(CC(=N)O)N=C(O)C(CCCNC(=N)N)N=C(O)C(Cc5ccc(O)cc5)N=C(O)C(CSSCC(N=C(O)C5CCCN5C1=O)C(O)=NC(C(C)CC)C(O)=NC(CO)C(O)=NC(C(C)O)C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(O)=NCC(O)=N4)N=C(O)C(C(C)C)N=C(O)C(CCCCN)N=C(O)C(CC(=N)O)N=C(O)C(CCCCN)N=C3O)C(O)=NCC(O)=NC(CCC(=O)O)C(O)=NC(CO)C(O)=N2
Answer: The molecule is a natural product found in Palicourea condensata with data available.
Task: molecular description generation
molecule: C=C(CCC12CC(OC(=O)C=CC(C)CC(C)CC)C(C(=O)O)(O1)C(O)(C(=O)O)C(C(=O)O)O2)C(OC(C)=O)C(C)Cc1ccccc1
Answer: The molecule is a natural product found in Phoma with data available.
Task: molecular description generation
molecule: O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1
Answer: The molecule is a benzodiazepine used predominantly as an anticonvulsant as adjunctive therapy in management of epilepsy. Therapy with clonazepam is not associated with serum aminotransferase elevations, and clinically apparent liver injury from clonazepam, if it occurs at all, must be exceedingly rare.
Task: molecular description generation
molecule: C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4[nH]c5cccc6c5c4COC2C(O)C(=O)OC6)c2nc-3cs2)n1)C(N)=O
Answer: The molecule is a natural product found in Actinokineospora fastidiosa with data available.
Task: molecular description generation
molecule: CCC(C)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(N)C(C)C)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: NC1CCN(C(=O)C2CCCC2)CC1
Answer: The molecule is a N-acylpiperidine.
Task: molecular description generation
molecule: COc1ccc(C=CCCOC(C)C=Cc2ccc(OC)c(OC)c2)cc1OC
Answer: The molecule is a natural product found in Zingiber montanum with data available.
Task: molecular description generation
molecule: C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C5NC(=C2)C(C)C5CCC(=O)OCC)C4=N3)C(CC)=C1C
Answer: The molecule is a natural product found in Neptunia oleracea with data available.
Task: molecular description generation
molecule: O=C(NC1C=CC(CC(=O)N2CCOCC2)OC1CO)c1cccc(F)c1
Answer: The molecule is an organohalogen compound and a carbonyl compound.
Task: molecular description generation
molecule: CCCCOC(=O)C(C)OC(=O)CCC
Answer: The molecule is a diester resulting from the formal condensation of the carboxy group of 2-(butanoyloxy)propanoic acid with butan-1-ol. It has a role as a flavouring agent and a plant metabolite. It is a diester and a butyrate ester. It is functionally related to a 2-hydroxypropanoic acid and a butan-1-ol.
Task: molecular description generation
molecule: CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO
Answer: The molecule is a natural product found in Polyspora chrysandra with data available.
Task: molecular description generation
molecule: CCOC(=O)c1ccc(N=Nc2ccc(O)c(CC(=O)O)c2)cc1
Answer: The molecule is a member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 4 by an ethoxycarbonyl group, while the other is substituted by a carboxymethyl group at position 3 and a hydroxy group at position 4. It is a potent and selective inhibitor of 15-hydroxyprostaglandin dehydrogenase (15-hydroxy-PGDH). It has a role as an EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor. It is a dicarboxylic acid monoester, an ethyl ester, a member of azobenzenes and a member of phenols.
Task: molecular description generation
molecule: COc1cc(C=CC(=O)OC2C(O)C(CO)OC2(CO)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)ccc1O
Answer: The molecule is a natural product found in Polygala arillata with data available.
Task: molecular description generation
molecule: COc1cc(CO)cc2c1C(=O)c1c(cc(O)c(Cl)c1O)C2=O
Answer: The molecule is a natural product found in Nephroma laevigatum with data available.
Task: molecular description generation
molecule: CC(C)=CC(=O)CC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C
Answer: The molecule is a natural product found in Luidia maculata with data available.
Task: molecular description generation
molecule: COc1cc(C(=O)OCC23OC2C(O)C2C=COC(OC4OC(CO)C(O)C(O)C4O)C23)ccc1O
Answer: The molecule is a natural product found in Veronica cymbalaria with data available.
Task: molecular description generation
molecule: Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
Answer: The molecule is an aromatic amide.
Task: molecular description generation
molecule: Cc1ccc2n1C(C)C1OC3(C(C)O)CC4OC23C1n1c(C)ccc14
Answer: The molecule is a natural product found in Bipolaris maydis with data available.
Task: molecular description generation
molecule: CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1
Answer: The molecule is an amidobenzoic acid.
Task: molecular description generation
molecule: CC1(C)CC23C4COC(=O)C2CCC1C3CC4=O
Answer: The molecule is a diterpenoid.
Task: molecular description generation
molecule: COc1c2ccoc2nc2c(O)cccc12
Answer: The molecule is a natural product found in Haplophyllum bucharicum, Haplophyllum cappadocicum, and other organisms with data available.
Task: molecular description generation
molecule: COCCOCCOCCOCCOCCOC
Answer: The molecule is a polyether.
Task: molecular description generation
molecule: COc1cc(-c2ccc[nH]2)[nH]c1C=O
Answer: The molecule is an aromatic ether.
Task: molecular description generation
molecule: CCC(=O)NC1C=CC(CC(=O)NCc2ccccc2F)OC1CO
Answer: The molecule is an organofluorine compound.
Task: molecular description generation
molecule: CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1C
Answer: The molecule is a natural product found in Nauclea diderrichii with data available.
Task: molecular description generation
molecule: COc1ccc(C=Cc2cc(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)cc1O
Answer: The molecule is a glycoside and a stilbenoid.
Task: molecular description generation
molecule: CCC1CN2CCC34c5ccccc5NC3C(C)C1CC24
Answer: The molecule is an indole alkaloid fundamental parent and an indole alkaloid.
Task: molecular description generation
molecule: CCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
Answer: The molecule is a hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxydecanoic acid. It is a hydroxy fatty acyl-CoA and a medium-chain fatty acyl-CoA. It is functionally related to a 2-hydroxydecanoic acid. It is a conjugate acid of a 2-hydroxydecanoyl-CoA(4-).
Task: molecular description generation
molecule: CCC(C)(NC(=O)C(CCC(N)=O)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(=O)N1CC(O)CC1C(=O)NC(C)(C)C(=O)NC(CO)Cc1ccccc1
Answer: The molecule is a natural product found in Emericellopsis donezkii with data available.
Task: molecular description generation
molecule: OC(O)C(Cl)(Cl)Cl
Answer: The molecule is a synthetic monohydrate of chloral with sedative, hypnotic, and anticonvulsive properties. Chloral hydrate is converted to the active compound trichloroethanol by hepatic alcohol dehydrogenase. The agent interacts with various neurotransmitter-operated ion channels, thereby enhancing gamma-aminobutyric acid (GABA)-A receptor mediated chloride currents and inhibiting amino acid receptor-activated ion currents. In addition, chloral hydrate enhances the agonistic effects of glycine receptors, inhibits AMPA-induced calcium influx in cortical neurons, and facilitates 5-HT 3 receptor-mediated currents in ganglionic neurons. Overall, this results in a depressive effect on the central nervous system.
Task: molecular description generation
molecule: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6NC(C)=O)C5OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6NC(C)=O)C5OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)C3O)C(O)C2NC(C)=O)C1O
Answer: The molecule is an amino oligosaccharide that is a tridecasaccharide derivative in which two pentasaccharide branches, each formed from N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannose, are linked (1->3) and (1->6) to the mannose residue of a trisaccharide chain consisting of mannose and two N-acetylglucosamine residues all linked beta(1->4) with a beta-configuration of the anomeric carbon of the N-acetylglucosamine residue at the reducing end. It has a role as an epitope. It is an amino oligosaccharide and a glucosamine oligosaccharide.
Task: molecular description generation
molecule: COc1cc(CC2COC(=O)C2Cc2ccc3c(c2)OCO3)ccc1O
Answer: The molecule is a natural product found in Haplophyllum myrtifolium, Illicium, and other organisms with data available.
Task: molecular description generation
molecule: CCCCCC1OC1C=CC=CC=CCC=CCCCC(=O)O
Answer: The molecule is an oxylipin that is the (14S,15S)-epoxy derivative of (5Z,8Z,10E,12E)-icosa-5,8,10,12-tetraenoic acid. It has a role as a metabolite. It is an epoxy fatty acid, a leukotriene, an oxylipin, a polyunsaturated fatty acid, a long-chain fatty acid and an eoxin. It is functionally related to a (5Z,8Z,10E,12E)-icosatetraenoic acid. It is a conjugate acid of an eoxin A4(1-).
Task: molecular description generation
molecule: CC1CN(C(C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2COC1CN(C)C(=O)CCC(F)(F)F
Answer: The molecule is an indolyl carboxylic acid.
Task: molecular description generation
molecule: COCCOc1cnc([N-]S(=O)(=O)c2ccccc2)nc1
Answer: The molecule is an organic nitrogen anion resulting from the deprotonation of the sulfonamide nitrogen of glymidine. It is the major microspecies at pH 7.3. It is a conjugate base of a glymidine.
Task: molecular description generation
molecule: COc1c(O)cc2oc(-c3cc(O)cc(O)c3)cc2c1CC=C(C)CCC=C(C)C
Answer: The molecule is a natural product found in Morus alba var. multicaulis, Morus mongolica, and Morus alba with data available.
Task: molecular description generation
molecule: CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(O)C1O
Answer: The molecule is a triterpenoid saponin that is hederagenin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the stem bark of Kalopanax pictus. It has a role as an anti-inflammatory agent and a plant metabolite. It is a pentacyclic triterpenoid, a triterpenoid saponin, a disaccharide derivative and a hydroxy monocarboxylic acid. It is functionally related to a hederagenin.
Task: molecular description generation
molecule: CC(=O)OC1CC2(C)C3=CCC4(C)C5C6CC(C(C)C)C5(CCC4(C)C3C(O)CC2C(C)(C)C1OC1OC(CO)C(O)C(O)C1O)CO6
Answer: The molecule is a natural product found in Rubia yunnanensis with data available.
Task: molecular description generation
molecule: CCCCCC1OC1CC=CC=CC(CC=CCCCC(=O)O)OO
Answer: The molecule is a hydroperoxy fatty acid that is (14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid in which the hydroperoxy group is located at position 8S. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of an (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate.
Task: molecular description generation
molecule: CC(=O)OCC(O)COC(=O)C1C(C)CCC2(C)C3CCCC(C)(C)C3=CCC12C
Answer: The molecule is a natural product found in Doris verrucosa with data available.
Task: molecular description generation
molecule: CCC=CC=CC=CC=CCCC
Answer: The molecule is a natural product found in Wahlenbergia marginata with data available.
Task: molecular description generation
molecule: CC1(C)OCCc2c1[nH]c1ccccc21
Answer: The molecule is a natural product found in Monascus pilosus with data available.
Task: molecular description generation
molecule: CC(=O)n1c(=O)c(C)cn(C2CC(O)C(CO)O2)c1=O
Answer: The molecule is a natural product found in Streptomyces microflavus with data available.
Task: molecular description generation
molecule: CCCCCCCC(=O)CC(=O)NC1CCOC1=O
Answer: The molecule is a natural product found in Azospirillum lipoferum and Aliivibrio fischeri with data available.
Task: molecular description generation
molecule: O=c1c(O)c(-c2ccccc2)oc2ccccc12
Answer: The molecule is a monohydroxyflavone that is the 3-hydroxy derivative of flavone. It is a monohydroxyflavone and a member of flavonols. It is a conjugate acid of a flavonol(1-).
Task: molecular description generation
molecule: CCCCCCCCCCC=C(C(=O)OC)C(O)C(C)=O
Answer: The molecule is an enoate ester obtained by the formal condensation (2E)-2-[(1S)-1-hydroxy-2-oxopropyl]tridec-2-enoic acid with methanol. Isolated from Lindera aggregata, it exhibits apoptotic activity against human hepatoma hep G2 cells. It has a role as a metabolite and an antineoplastic agent. It is an enoate ester, a ketone, a secondary alcohol and a secondary alpha-hydroxy ketone.
Task: molecular description generation
molecule: CC1=CC(C)(C)C(C=O)CC1O
Answer: The molecule is a natural product found in Artemisia rutifolia with data available.
Task: molecular description generation
molecule: CC(C)CC1C(=O)N2CCCC2C2(O)OC(C)(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)C(=O)N12
Answer: The molecule is a natural product found in Jacquemontia tamnifolia, Ipomoea muricata, and other organisms with data available.
Task: molecular description generation
molecule: CC(C)=CCC=C(C)C1=CCC(C)(O)C1CC1=C(O)C(O)CCC1=O
Answer: The molecule is a natural product found in Alternaria alternata with data available.
Task: molecular description generation
molecule: CCCC(C)C(O)CCC
Answer: The molecule is a secondary alcohol.
Task: molecular description generation
molecule: COc1ccc(CCn2nnc3c2CCN(c2ccc(C(F)(F)F)cc2)C3)cc1
Answer: The molecule is a member of (trifluoromethyl)benzenes. It has a role as an anticoronaviral agent.
Task: molecular description generation
molecule: CCC(C)C=CC1=CC2=C(Cl)C(=O)C3(C)OC4(OC)C(C)C(C)OC(=O)C4C3C2=CO1
Answer: The molecule is a natural product found in Chaetomium globosum and Mugil cephalus with data available.
Task: molecular description generation
molecule: CC(O)(CO)C1CCC2(C)OC3=C(CC12)C(=O)C1(O)COC3C1
Answer: The molecule is a natural product found in Guignardia with data available.
Task: molecular description generation
molecule: COC(=O)C12OCC34C(CC5C(C)C(=O)C(OC6OC(CO)C(O)C(O)C6O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24
Answer: The molecule is a natural product found in Brucea javanica with data available.
Task: molecular description generation
molecule: C=C1C(=O)OC2C1CC1OC1(C)CC=CC(C)(OO)CCC=C(C)C2OC(C)=O
Answer: The molecule is a natural product found in Sarcophyton crassocaule with data available.
Task: molecular description generation
molecule: CC(C)=CCCc1ccc2c(c1)C(=O)c1ccccc1C2=O
Answer: The molecule is an anthraquinone.
Task: molecular description generation
molecule: CCCCCCCCCCCCCCCCC(O)CCC(O)CCCCCCCCC
Answer: The molecule is a natural product found in Pinus radiata with data available.
Task: molecular description generation
molecule: CCCCCCCCCCC=CCCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O
Answer: The molecule is a natural product found in Ophrypetalum odoratum with data available.
Task: molecular description generation
molecule: CC(=CCn1cnc2c1c(=O)ncn2C)CCC=C(C)CCCC(C)=CC(=O)CC(C)C
Answer: The molecule is a natural product found in Leptogorgia gilchristi with data available.
Task: molecular description generation
molecule: CC(C)=CCc1cc(C(=O)O)cc(O)c1[O-]
Answer: The molecule is the dihydroxybenzoate anion formed by loss of a proton from the carboxy group of 3,4-dihydroxy-5-polyprenylbenzoic acid. The major species present at pH 7.3, it is an intermediate in the formation of ubiquinone. It is a conjugate base of a 3,4-dihydroxy-5-polyprenylbenzoic acid.
Task: molecular description generation
molecule: CC(C)CC(N)C(=O)NC(C)C(=O)NC(CS)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: COc1c2cc3c(cc2nc2occc12)OCO3
Answer: The molecule is a natural product found in Vepris nobilis, Vepris soyauxii, and other organisms with data available.
Task: molecular description generation
molecule: COc1cc(O)c(C)c2c1COC(C)C2O
Answer: The molecule is a natural product found in Penicillium with data available.
Task: molecular description generation
molecule: CC(C)CCCC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3
Answer: The molecule is a cholestanoid that is 5alpha-cholesta-8,14-dien-3beta-ol bearing two additional methyl substituents at position 4. It is a 3beta-sterol, a cholestanoid and a tetracyclic triterpenoid.
Task: molecular description generation
molecule: COc1cc2c3c(c1O)-c1cc(O)ccc1CC3N(C)CC2
Answer: The molecule is a natural product found in Annona glabra and Ocotea glaziovii with data available.
Task: molecular description generation
molecule: Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
Answer: The molecule is a natural product found in Homo sapiens and Bos taurus with data available.
Task: molecular description generation
molecule: CC(NC(=O)C(CCCCN)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)O
Answer: The molecule is a peptide.
Task: molecular description generation
molecule: CC1CC(O)C2C(=C3CC(C)(C)CC31)COC2O
Answer: The molecule is a natural product found in Nigrospora oryzae with data available.