anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)CC)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)CC)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O 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 the role of acyl-CoA:cholesterol acyltransferase 2 inhibitor . It has the role of Aspergillus metabolite .    It is also related to or classified as acetate ester  . It is also related to or classified as pyridines , sesquiterpenoid , organic heterotetracyclic compound .
The molecule Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O is benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase. It has the role of EC 2.1.1.6 (catechol O-methyltransferase) inhibitor . It has the role of antiparkinson drug .  It is also related to or classified as catechols  . It is also related to or classified as benzophenones , 2-nitrophenols .
The molecule C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4CC(=O)OC4)O)CC[C@]5([C@@]3([C@@H](C[C@@H](C5)O)O)CO)O)O is a hexahydroxy steroidal lactone that is the 20,22-dihydro derivative of ouabagenin. It is a 1-hydroxy steroid, an 11alpha-hydroxy steroid, a 14beta-hydroxy steroid, a 19-hydroxy steroid, a 3beta-hydroxy steroid and a 5beta-hydroxy steroid. It derives from an ouabagenin.
The molecule CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is A (2S)-2-methylacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2S)-2-methyltetradecanoic acid. It is a conjugate acid of (2S)-2-methyltetradecanoyl-CoA(4-) . It is also related to or classified as (2S)-2-methylacyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  .
The molecule CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CC CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CC 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 the role of acyl-CoA:cholesterol acyltransferase 2 inhibitor . It has the role of Aspergillus metabolite .    It is also related to or classified as acetate ester  . It is also related to or classified as pyridines , sesquiterpenoid , organic heterotetracyclic compound .
The molecule Clc1ccc2nsnc2c1NC1=NCCN1 Clc1ccc2nsnc2c1NC1=NCCN1 is 2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group.  It is an agonist at alpha2-adrenergic receptor sites. It has the role of alpha-adrenergic agonist . It has the role of muscle relaxant . It is also related to or classified as imidazoles , benzothiadiazole .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O is a 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as stearoyl (octadecanoyl). It has a role as a metabolite. It derives from an octadecanoic acid. It is a conjugate acid of a 1-stearoyl-sn-glycero-3-phosphate(2-).
The molecule CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)CC)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)CC)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O 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 the role of acyl-CoA:cholesterol acyltransferase 2 inhibitor . It has the role of Aspergillus metabolite .    It is also related to or classified as acetate ester  . It is also related to or classified as pyridines , sesquiterpenoid , organic heterotetracyclic compound .
The molecule CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 is A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor. It has the role of HIV protease inhibitor . It has the role of antiviral drug . It is also related to or classified as sulfonamide  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O is an N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 24 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.
The molecule Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1 Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1 is an anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. It has the role of antioxidant . It has the role of metabolite . It has the role of neuroprotective agent . It is a conjugate acid of cyanidin(1-) . It is also related to or classified as 5-hydroxyanthocyanidin  .
The molecule C[NH+](C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O is an organic cation obtained by protonation of the tertiary amino group of (R,R)-tramadol. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (R,R)-tramadol. It is an enantiomer of a (S,S)-tramadol(1+).
The molecule CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)CC)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CC CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)CC)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CC 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 the role of acyl-CoA:cholesterol acyltransferase 2 inhibitor . It has the role of Aspergillus metabolite .   It is also related to or classified as carboxylic ester  . It is also related to or classified as pyridines , sesquiterpenoid , organic heterotetracyclic compound .
The molecule CC\C=C\CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O CC\C=C\CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O is A polypeptide that is a synthetic analogue of human GRF (Growth Releasing Factor) comprised of the 44 amino-acid sequence of human GRF with a hex-3-enoyl moiety attached to the tyrosine residue at the N-terminal part of the molecule. It is used to stimulate human GRF receptors. It is also related to or classified as polypeptide  . It is also related to or classified as peptide hormone .
The molecule CCCCCC(=O)O is a C6, straight-chain saturated fatty acid. It has a role as a human metabolite and a plant metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a hexanoate.
The molecule CC(C)=CCc1c2OC(C)(C)C=Cc2c(O)c2c1oc1cc(O)c(O)cc1c2=O CC(C)=CCc1c2OC(C)(C)C=Cc2c(O)c2c1oc1cc(O)c(O)cc1c2=O is A member of the class of  pyranoxanthones that is 2H,6H-pyrano[3,2-b]xanthen-6-one substituted by hydroxy groups at positions 5, 8 and 9, geminal methyl groups at position 2 and a prenyl group at position 12. Isolated from Garcinia lancilimba, it exhibits inhibitory effects on human cancer cell line. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as polyphenol , pyranoxanthones .
The molecule OC(=O)[C@@H](S)[C@@H](S)C(O)=O OC(=O)[C@@H](S)[C@@H](S)C(O)=O is A sulfur-containing carboxylic acid that is succinic acid bearing two mercapto substituents at positions 2 and 3. A lead chelator used as an antedote to lead poisoning. It has the role of chelator . It is also related to or classified as dithiol , sulfur-containing carboxylic acid , dicarboxylic acid .
The molecule CCCCCCCCCCCCCC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is a long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-methylpalmitic acid, It is a methyl-branched fatty acyl-CoA and a long-chain fatty acyl-CoA. It is a conjugate acid of a 3-methylpalmitoyl-CoA(4-).
The molecule CC(C)=CCc1c(O)c2c(oc3c(O)c(O)ccc3c2=O)c2C=CC(C)(C)Oc12 CC(C)=CCc1c(O)c2c(oc3c(O)c(O)ccc3c2=O)c2C=CC(C)(C)Oc12 is A member of the class of  pyranoxanthones that is 3H,7H-pyrano[2,3-c]xanthen-7-one substituted by hydroxy groups at positions 6, 10 and 11, geminal methyl groups at position 3 and a prenyl group at position 5. Isolated from Garcinia lancilimba, it exhibits inhibitory effects on human cancer cell line. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as polyphenol , pyranoxanthones .
The molecule CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1 is A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias. It has the role of beta-adrenergic antagonist . It has the role of xenobiotic . It has the role of anti-arrhythmia drug . It has the role of environmental contaminant .  It is also related to or classified as sulfonamide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as ethanolamines , secondary amino compound .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O is a glycophytoceramide having an alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. It has a role as an antineoplastic agent, an epitope, an antigen, an immunological adjuvant and an allergen. It derives from an alpha-D-galactose.
The molecule [H][C@@]12CC[C@H](C)[C@]3(CC1(C)C)[C@@H](Cn1c(O)nc4c(O)ncnc14)C(=O)C[C@]23[H] [H][C@@]12CC[C@H](C)[C@]3(CC1(C)C)[C@@H](Cn1c(O)nc4c(O)ncnc14)C(=O)C[C@]23[H] is 6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone. It has the role of metabolite . It is also related to or classified as oxopurine .
The molecule [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C is an aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease. It has the role of HIV protease inhibitor . It has the role of antiviral drug . It is also related to or classified as quinolines , L-asparagine derivative .
The molecule C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NO is a pyridine having a 4-hydroxyaminobenzenesulfonamido group at the 2-position. It has a role as a drug metabolite and an allergen. It is a member of pyridines and a sulfonamide. It derives from a sulfanilamide.
The molecule O[C@@]12[C@@]([C@@](O)([C@@H](OC(=O)/C=C/C3=CC=C(O)C=C3)C1)C)(C(OC=C2C(OC)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[H] O[C@@]12[C@@]([C@@](O)([C@@H](OC(=O)/C=C/C3=CC=C(O)C=C3)C1)C)(C(OC=C2C(OC)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[H] is Methyl (1s,4ar,6s,7r,7as)-1-(beta-d-glucopyranosyloxy)-4a,7-dihydroxy-6-{[(2e)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .
The molecule C1=CC(=C(C(=C1)O)C([O-])=O)O C1=CC(=C(C(=C1)O)C([O-])=O)O is A dihydroxybenzoate that is the conjugate base of 2,6-dihydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dihydroxybenzoate  . It is also related to or classified as monocarboxylic acid anion  .
The molecule [H][C@@]1(CO[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)CO)[C@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O [H][C@@]1(CO[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)[C@]2(C)CO)[C@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is Pulsatilla saponin D. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule C#CCN[C@@H]1CCc2ccccc12 C#CCN[C@@H]1CCc2ccccc12 is an indane that consists of 1-aminoindane bearing an N-propargyl substituent. A selective, irreversible monoamine oxidase-B inhibitor. It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It has the role of neuroprotective agent . It is also related to or classified as secondary amine  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as indanes .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])O is a 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-stearoyl-sn-glycero-3-phosphoethanolamine. It is a lysophosphatidylethanolamine zwitterion 18:0 and a 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion. It is a tautomer of a 1-stearoyl-sn-glycero-3-phosphoethanolamine.
The molecule CC1=CC=C(CO)C=C1 CC1=CC=C(CO)C=C1 is A methylbenzyl alcohol in which the methyl substituent is para to the hydroxymethyl group. It has the role of fragrance . It has the role of xenobiotic metabolite . It is also related to or classified as methylbenzyl alcohol , toluenes .
The molecule CC(C)\C=C1NC(=O)C=C/1C CC(C)\C=C1NC(=O)C=C/1C is Pulchellalactum. It has the role of metabolite . It is also related to or classified as pyrroline  .
The molecule CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1 CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1 is an aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias. It has the role of anti-arrhythmia drug . It is also related to or classified as secondary alcohol  . It is also related to or classified as secondary amino compound , aromatic ketone .
The molecule C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)[C@@]5(CC[C@H](O5)C(C)(C)O)C is a tetracyclic triterpenoid isolated from Aglaia foveolata and Aglaia abbreviata. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, a cyclic terpene ketone, a tertiary alcohol and a member of oxolanes. It derives from a hydride of a dammarane.
The molecule CN(C)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](C)C CN(C)c1ccc(cc1)C(c1ccccc1)=C1C=CC(C=C1)=[N+](C)C is an iminium ion obtained by dimethylation of the imino group of 4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-imine. Used in the form of its chloride salt as a green-coloured dye. It has the role of antibacterial drug . It has the role of fluorochrome . It has the role of antifungal drug . It is also related to or classified as iminium ion .
The molecule O=C1C=C2C3=CC[C@H]4CC5=C([C@@]4([C@]3(CC[C@]2(O)O[C@@H]1C(O)(C)C)C)C)NC=6C=CC=CC56 O=C1C=C2C3=CC[C@H]4CC5=C([C@@]4([C@]3(CC[C@]2(O)O[C@@H]1C(O)(C)C)C)C)NC=6C=CC=CC56 is 7-hydroxypaxilline-13-ene. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC\C=C\C=C(/OC)C(O)C(C)CC(OC)\C=C\C=C\C1OC(=O)C=CC1OC CC\C=C\C=C(/OC)C(O)C(C)CC(OC)\C=C\C=C\C1OC(=O)C=CC1OC is Pterocidin. It has the role of metabolite . It is also related to or classified as aliphatic alcohol  .
The molecule [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC is A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin. It has the role of metabolite . It has the role of xenobiotic . It has the role of anticholesteremic drug . It has the role of environmental contaminant . Its functional parent is (S)-2-methylbutyric acid . Its functional parent is (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid . It is a conjugate acid of pravastatin(1-) . It is also related to or classified as carboxylic ester  . It is also related to or classified as secondary alcohol  . It is also related to or classified as hydroxy monocarboxylic acid , carbobicyclic compound , 3-hydroxy carboxylic acid , statin (semi-synthetic) .
The molecule CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5 is an iminium ion that is the free acid form of Guinee green B. It is a conjugate acid of a Guinee green B(1-).
The molecule C(OC(/C=C\C1=CC=C(C=C1)O)=O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O2)OC=3C(C4=CC(=C(O)C=C4)O)=[O+]C5=C(C3)C(=CC(O)=C5)O C(OC(/C=C\C1=CC=C(C=C1)O)=O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O2)OC=3C(C4=CC(=C(O)C=C4)O)=[O+]C5=C(C3)C(=CC(O)=C5)O is an anthocyanin cation that is cyanidin substituted at position 3 by a 6-O-(Z-4 coumaryl)-beta-D-glucosyl residue. Its functional parent is cis-4-coumaric acid . Its functional parent is cyanidin cation . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as anthocyanin cation  . It is also related to or classified as polyphenol , cinnamate ester , monosaccharide derivative .
The molecule [H][C@@]1(CC[C@@H](C)c2c1cc(C)c1ncoc21)[C@@H](C)CCC=C(C)C [H][C@@]1(CC[C@@H](C)c2c1cc(C)c1ncoc21)[C@@H](C)CCC=C(C)C is seco-Pseudopteroxazole. It has the role of metabolite . It is also related to or classified as sesquiterpenoid .
The molecule [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CSC)CN2CCC [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CSC)CN2CCC is A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. It has the role of antiparkinson drug . It has the role of dopamine agonist . It is also related to or classified as diamine  .  It is also related to or classified as methyl sulfide  . It is also related to or classified as organic heterotetracyclic compound .
The molecule CC1=CC=CC=C1/C(=N\\NC2=NC(=CC(=N2)C)C)/C is a member of the class of pyrimidines that is 2-hydrazino-4,6-dimethylpyrimidine in which the two amino hydrogens are replaced by a 1-(2-methylphenyl)ethylidene group. It is used for the control of fungal diseases in rice. It has a role as an antifungal agrochemical. It is a member of toluenes, a hydrazone and a pyrimidine fungicide.
The molecule [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(O)=O)O2 [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(O)=O)O2 is A molybdopterin that is the O-phospho derivative of [(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methanol. It is a conjugate acid of molybdopterin(3-) . It is also related to or classified as molybdopterins .
The molecule [H][C@]12CC[C@H](C)c3c1c([C@@H](C[C@@H]2C)C=C(C)C)c(C)c1ncoc31 [H][C@]12CC[C@H](C)c3c1c([C@@H](C[C@@H]2C)C=C(C)C)c(C)c1ncoc31 is Pseudopteroxazole. It has the role of metabolite . It is also related to or classified as tetralins .
The molecule Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1 Nc1nc(=O)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c[nH]c2[nH]1 is an N-acylglutamic acid in which the N-acyl group is specified as 4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT). It has the role of antimetabolite . It has the role of antineoplastic agent . It has the role of EC 1.5.1.3 (dihydrofolate reductase) inhibitor . It has the role of EC 2.1.1.45 (thymidylate synthase) inhibitor . It has the role of EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor . It is a conjugate acid of pemetrexed(2-) . It is also related to or classified as N-acyl-L-glutamic acid , pyrrolopyrimidine .