anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5 is an organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity. It has a role as a metabolite, an antineoplastic agent and an antileishmanial agent. It is an organic heterotricyclic compound, a monomethoxybenzene and a monocarboxylic acid amide.
The molecule ClC1=C(O)C=2C(=O)C3=C(C(O)=C4C(=O)C[C@@H]([C@@H](C4=C3)O)C)C(C2C=C1)=O ClC1=C(O)C=2C(=O)C3=C(C(O)=C4C(=O)C[C@@H]([C@@H](C4=C3)O)C)C(C2C=C1)=O is Celastramycin B. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule S(OC[C@H]1OC(OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC4O[C@@H]([C@H](O)[C@H](O)[C@H]4OC5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)(O)(=O)=O S(OC[C@H]1OC(OC[C@H]2O[C@H](O)[C@H](NC(=O)C)[C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1OC4O[C@@H]([C@H](O)[C@H](O)[C@H]4OC5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)(O)(=O)=O is [(2R,3S,4R,5R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-[(3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]methyl hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule COC1=CC=CC(=C1)C(C(=O)NCC2=CC=CO2)N(CC3=CC=CO3)C(=O)CN4C5=CC=CC=C5N=N4 is an organooxygen compound and an organonitrogen compound. It has a role as an anticoronaviral agent. It derives from an alpha-amino acid.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43 is 1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(C1=C(C=2N(C3=C(C(=O)C2C(O)=C1)C=CC=C3O)C)CC(O)C(C)=C)C O(C1=C(C=2N(C3=C(C(=O)C2C(O)=C1)C=CC=C3O)C)CC(O)C(C)=C)C is Marshmine. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(O)O P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(O)O is A 1-(alk-1-enyl)-sn-glycero-3-phosphate in which the alkenyl group is specified as 1Z-octadecenyl. It is a conjugate acid of 1-(1Z-octadecenyl)-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-(alk-1-enyl)-sn-glycero-3-phosphate  .
The molecule O1N=C(N=C1C=2SC=CC2)C3=CC=CC=C3 O1N=C(N=C1C=2SC=CC2)C3=CC=CC=C3 is A 1,2,4-oxadizole in which the hydrogens at positions 3 and 5 have been replaced by phenyl and thiophen-2-yl groups, respectively. It is used as a broad spectrum nematicidal seed treatment. It has the role of nematicide . It has the role of agrochemical . It is also related to or classified as thiophenes , 1,2,4-oxadiazole .
The molecule CC(C)C1=C2CC[C@@H]3[C@@]4(C2=C(C=C1)OC4)CCCC3(C)C is an abietane diterpenoid that is podocarpa-8,11,13-triene substituted by a propan-2-yl group at position 14 at an epoxy group across positions 11 and 17. It is isolated from Podocarpus latifolius. It has a role as a metabolite. It is an abietane diterpenoid, a cyclic ether and an organic heterotetracyclic compound.
The molecule O1C=2C(=C(OC)C(=C(OC)C2)C)C(=O)C=C1C3=CC=CC=C3 O1C=2C(=C(OC)C(=C(OC)C2)C)C(=O)C=C1C3=CC=CC=C3 is Dimethylstrobochrysin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC1C2=N[C@@](CC3=C([C@](C(=N3)/C=C\\4/[C@H]([C@]([C@@]([N-]4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C(=C2CCC(=O)O)C)C.[Co] is a cobalt corrinoid that is precorrin-7 in which the four pyrrole-type nitrogens are bound to a central cobalt atom. It is a conjugate acid of a cobalt-precorrin-7(7-).
The molecule OC[C@@H](O)[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@H](O)[C@H]1O OC[C@@H](O)[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@H](O)[C@H]1O is A galactobiose consisting of a beta-D-galactofuranose residue and a beta-D-galactopyranose residue joined in sequence by a (1->3) glycosidic bond. Its functional parent is beta-D-galactose . Its functional parent is beta-D-galactofuranose . It is also related to or classified as galactobiose .
The molecule C=1(C(=CC=C(C1)NC([C@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F C=1(C(=CC=C(C1)NC([C@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F is A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (R)-enantiomer of bicalutamide. It has the role of androgen antagonist . It has the role of antineoplastic agent . It is also related to or classified as N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide  .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3 is 4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)O P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)O is A 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine in which the alk-1-enyl and N-acyl groups are specified as 1Z-octadecenyl and arachidonoyl respectively. Its functional parent is arachidonic acid . It is a conjugate acid of 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-arachidonoyl)ethanolamine(1-) . It is also related to or classified as 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine  .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CN(C=N3)C C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CN(C=N3)C is N-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC[C@H](C)[C@@H](O)C([O-])=O CC[C@H](C)[C@@H](O)C([O-])=O is the conjugate base of (2R,3S)-2-hydroxy-3-methylpentanoic acid. Its functional parent is valerate . It is also related to or classified as 2-hydroxy-3-methylpentanoate  .
The molecule C(=C(\C=C(/C(=O)[O-])\C)/Cl)\C([O-])=O C(=C(\C=C(/C(=O)[O-])\C)/Cl)\C([O-])=O is 4-chloro-2-methyl-cis,cis-muconate. Its functional parent is cis,cis-muconate . It is also related to or classified as chlorocarboxylic acid anion .
The molecule C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(O)ccc2cc2c1nc(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O C[C@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(O)ccc2cc2c1nc(=O)[nH]c2=O)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O is the amide obtained by formal condensation of the carboxylic acid group of F420-0 with the amino group of L-gamma-glutamyl-L-glutamic acid. It has the role of coenzyme . Its functional parent is 7,8-didemethyl-8-hydroxy-5-deazariboflavin . It is a conjugate acid of coenzyme gamma-F420-2(5-) . It is a conjugate acid of coenzyme gamma-F420-2(4-) . It is also related to or classified as ribitol phosphate , pyrimidoquinolines .
The molecule [O-][W](=O)(=O)[O-] is a divalent inorganic anion obtained by removal of both protons from tungstic acid. It is a divalent inorganic anion and a tungsten oxoanion. It is a conjugate base of a hydrogentungstate.
The molecule O=C1C2=C(C(OC)=CC(=C2)OC)[C@@H](O)[C@H]3[C@H]1C[C@@](O)(C)OC3 O=C1C2=C(C(OC)=CC(=C2)OC)[C@@H](O)[C@H]3[C@H]1C[C@@](O)(C)OC3 is Corynesporol. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)S(=O)(=O)[O-] is an organosulfonate oxoanion that is the conjugate base of 6-sulfo-D-quinovose, obtained by deprotonation of the sulfonate OH group; major species at pH 7.3. It is a conjugate base of a 6-sulfo-D-quinovose.
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is an amino disaccharide that consists of N-acetyl-6-O-sulfo-beta-D-glucosamine having an N-acetyl-beta-D-galactosaminyl residue attached at position 4. It is also related to or classified as amino disaccharide , oligosaccharide sulfate , carbohydrates and carbohydrate derivatives .
The molecule CC(=O)OC[C@H]([NH3+])C([O-])=O CC(=O)OC[C@H]([NH3+])C([O-])=O is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of O-acetyl-L-serine; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule C=1(C(=CC=C(C1)NC([C@@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F C=1(C(=CC=C(C1)NC([C@@](CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F is A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide. It is also related to or classified as N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide  .
The molecule OC(=O)C1C[C@@]2([C@@](N(C1)CC=C)(CC=3C4=C2C=CC=C4NC3)[H])[H] OC(=O)C1C[C@@]2([C@@](N(C1)CC=C)(CC=3C4=C2C=CC=C4NC3)[H])[H] is 6-allyl-8b-Carboxy-ergoline. Its functional parent is lysergic acid . It is also related to or classified as ergoline alkaloid .
The molecule P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCC/C=C\CCCCCCCC)=O)O P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCC/C=C\CCCCCCCC)=O)O is A 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine in which the alk-1-enyl and N-acyl groups are specified as 1Z-octadecenyl and oleoyl respectively. Its functional parent is oleic acid . It is a conjugate acid of 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-oleoyl)ethanolamine(1-) . It is also related to or classified as 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine  .
The molecule O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O is A purine ribonucleoside 5'-monophosphate having xanthine as the nucleobase. It has the role of metabolite . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of 5'-xanthylate(2-) . It is also related to or classified as purine ribonucleoside 5'-monophosphate , xanthosine 5'-phosphate .
The molecule S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]1[Fe](S[Fe]7[S]2[Fe]3[S]47)[S]5[Mo]61 S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]1[Fe](S[Fe]7[S]2[Fe]3[S]47)[S]5[Mo]61 is an iron-sulfur cluster containing 7 iron atoms, 9 sulfur atoms and a molybdenum atom. It is also related to or classified as iron-sulfur cluster .
The molecule O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP([O-])([O-])=O O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP([O-])([O-])=O is A quadruply-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of sedoheptulose 1,7-bisphosphate; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@]12C=CC(=O)[C@@H]3Oc4c(OC)ccc5C[C@H]1N(C)CC[C@@]23c45 [H][C@]12C=CC(=O)[C@@H]3Oc4c(OC)ccc5C[C@H]1N(C)CC[C@@]23c45 is codeinone. Its functional parent is morphine . It is also related to or classified as isoquinoline alkaloid .
The molecule CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2OC)O)C(=O)OC)O is a benzophenone that is the methyl ester of 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid. It has a role as a metabolite. It is a member of benzophenones, a carboxylic ester and a member of phenols. It derives from a demethylsulochrin. It is a conjugate acid of a sulochrin(1-).
The molecule O([C@@H]1[C@H](OC=2C(C1O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4OC([C@H](O)C(O)[C@@H]4O)C O([C@@H]1[C@H](OC=2C(C1O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4OC([C@H](O)C(O)[C@@H]4O)C is Catechin-4-ol 3-O-alpha-L-rhamnopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC[C@H]1OC(O)[C@H](O)[C@@H](OS(O)(=O)=O)[C@@H]1O OC[C@H]1OC(O)[C@H](O)[C@@H](OS(O)(=O)=O)[C@@H]1O is A monosaccharide sulfate that is D-glucopyranose in which the hydroxy group at position 3 has been converted to the corresponding hydrogen sulfate derivative. Its functional parent is D-glucopyranose . It is also related to or classified as monosaccharide sulfate .
The molecule CC(C)[C@@H]1C[C@H]([C@H]2[C@]1(CC[C@@]3([C@@]2(CC=C4[C@H]3[C@H](C[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)OC(=O)C)C)O)C)C)COC(=O)C)O is a triterpenoid saponin with an arborinane-type terpenoid as the aglycone. It has been isolated from the roots of Rubia yunnanensis. It has a role as a plant metabolite. It is a beta-D-glucoside, an acetate ester, a diol, a disaccharide derivative, a pentacyclic triterpenoid and a triterpenoid saponin.
The molecule C=1(C(=CC=C(C1)NC(C(CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F C=1(C(=CC=C(C1)NC(C(CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F is A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group. It is also related to or classified as nitrile  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as sulfone  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as (trifluoromethyl)benzenes .
The molecule P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCCCCCCCCCC)=O)O P(OC[C@@H](CO/C=C\CCCCCCCCCCCCCCCC)O)(=O)(OCCNC(CCCCCCCCCCCCCCC)=O)O is A 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine in which the alk-1-enyl and N-acyl groups are specified as 1Z-octadecenyl and hexadecanoyl respectively. Its functional parent is hexadecanoic acid . It is a conjugate acid of 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-hexadecanoyl)ethanolamine(1-) . It is also related to or classified as 1-[(Z)-alk-1-enyl]-sn-glycero-3-phospho-(N-acyl)ethanolamine  .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3 is (3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1(C(=O)C(C2=C(O1)C=CC3=C2OC(=O)C=C3)C=NO)(C)C C1(C(=O)C(C2=C(O1)C=CC3=C2OC(=O)C=C3)C=NO)(C)C is 8,8-dimethyl-2,9-dioxo-10H-pyrano[2,3-f][1]benzopyran-10-carboxaldehyde oxime. It is also related to or classified as aldoxime  . It is also related to or classified as coumarins .
The molecule C1=CC(=CC=C1CS(=O)(=O)CC2=CC=C(C=C2)O)O is a sulfone compound having two S-4-hydroxybenzyl substituents. Isolated from the tuber of Gastrodia elata, it exhibits inhibitory effect on platelet aggregation. It has a role as a metabolite and a platelet aggregation inhibitor. It is a sulfone and a member of phenols.
The molecule O(C1=C(C(C2=C(OC)C=C3OC(=O)C=CC3=C2)C=C(C)C)C(O)=C4C(N(C5=C(C4=O)C=CC(OC)=C5OC)C)=C1)C O(C1=C(C(C2=C(OC)C=C3OC(=O)C=CC3=C2)C=C(C)C)C(O)=C4C(N(C5=C(C4=O)C=CC(OC)=C5OC)C)=C1)C is Acrimarine N. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule ClC(Cl)C(CC(=O)N(C(C(=O)N1C(C=2SC=CN2)CC(C1)C)CC(C(Cl)Cl)C)C)C ClC(Cl)C(CC(=O)N(C(C(=O)N1C(C=2SC=CN2)CC(C1)C)CC(C(Cl)Cl)C)C)C is Dysideaproline B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OCC(S)CS OCC(S)CS is A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury. It has the role of chelator . It is also related to or classified as primary alcohol  . It is also related to or classified as dithiol .
The molecule CC(=CCC1=C(C(=C(C2=C1OC3=CC(=C(C=C3C2=O)O)O)O)C(C)(C)C=C)O)C is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7, a dimethylallyl group at position 2 and a prenyl group at position 4. Isolated from Maclura tinctoria and Cudrania tricuspidata, it exhibits anti-HIV and antineoplastic activity. It has a role as a metabolite, an anti-HIV agent and an antineoplastic agent. It is a member of xanthones and a member of phenols.
The molecule S(OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O)(O)(=O)=O S(OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H]2O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O)(O)(=O)=O is [(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R,6R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methyl hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule C1CC1(C(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O is a monocarboxylic acid that is cyclopropanecarboxylic acid that is substituted by a 3,5-dichlorophenylcarbamoyl group at position 1. It is a plant growth regulator which is used as a cotton harvest aid. It has a role as a plant growth regulator and a fungicide. It is a dichlorobenzene, a member of cyclopropanes, an anilide and a monocarboxylic acid.
The molecule CN1C2=C(SC=C2)C(=O)N(C)C2=CN=C(NC3=CC=C(C=C3)S(N)(=O)=O)N=C12 CN1C2=C(SC=C2)C(=O)N(C)C2=CN=C(NC3=CC=C(C=C3)S(N)(=O)=O)N=C12 is an organic heterotricyclic compound that is 5,10-dihydro-6H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-6-one substituted by (4-sulfamoylphenyl)amino, methyl and methyl groups at positions 2, 5 and 10, respectively. It is an inhibitor of the Hippo pathway kinases MST1 and MST2 (IC50 = 71.1 and 38.1 nM, respectively). It has the role of bone density conservation agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of hepatoprotective agent . It has the role of cardioprotective agent .  It is also related to or classified as sulfonamide  . It is also related to or classified as organic heterotricyclic compound , secondary amino compound , tertiary amino compound .
The molecule [C]1C=Cc2ccccc12 [C]1C=Cc2ccccc12 is A carbene that is derived from 1H-indene. It is also related to or classified as carbene  .
The molecule C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COS(=O)(=O)[O-])O)C)O is conjugate base of cortisol 21-sulfate arising from deprotonation of the sulfate OH; major species at pH 7.3. It is a conjugate base of a cortisol 21-sulfate.
The molecule O=C1O[C@@H](CCC(=O)OCCCC)C(=C1O)C2=CC=CC=C2 O=C1O[C@@H](CCC(=O)OCCCC)C(=C1O)C2=CC=CC=C2 is Lactone acid n-butyl ester. It is also related to or classified as fatty acid ester  .
The molecule CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 is n-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias. It has the role of beta-adrenergic antagonist . It has the role of anti-arrhythmia drug .   It is also related to or classified as propanolamine  . It is also related to or classified as secondary alcohol  . It is also related to or classified as acetamides , ethanolamines , secondary amino compound .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OS([O-])(=O)=O)[C@@H](OP([O-])([O-])=O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OS([O-])(=O)=O)[C@@H](OP([O-])([O-])=O)[C@H]1O is A quadruply-charged organophosphate oxoanion arising from deprotonation of the phosphate and sufate groups of 3'-phosphonato-5'-adenylyl sulfate; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite .  It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as organophosphate oxoanion .
The molecule OCC(O)CS OCC(O)CS is A thiol that is glycerol in which one of the primary hydroxy groups is replaced by a thiol group. It has the role of reducing agent . It has the role of vulnerary .  It is also related to or classified as thiol  . It is also related to or classified as propane-1,2-diols .
The molecule COC1=C(C=CC(=C1)O)C(=O)/C=C/C2=CC=C(C=C2)O is a member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2' is replaced by a methoxy group. It has a role as a metabolite. It is a member of chalcones, a monomethoxybenzene and a member of phenols. It derives from an isoliquiritigenin.
The molecule COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1 COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1 is A N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group. It has the role of herbicide . It has the role of xenobiotic . It has the role of environmental contaminant .   It is also related to or classified as N-sulfonylurea  . It is also related to or classified as benzoate ester , methoxy-1,3,5-triazine .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(OC)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H](C(O)[C@@H]5O)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(OC)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)CO[C@@H]5O[C@H](C(O)[C@@H]5O)CO is Quercetin 3-methyl ether 7-alpha-L-arabinofuranosyl-(1->6)-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .