mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)NC(C)=O</smiles> is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and linoleoyl respectively. Its functional parent is linoleic acid. Its functional parent is N-acetylsphingosine. It is also related to or classified as 1-O-acyl-N-acetylsphingosine .
The molecule <smiles>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C/c2ccc(O)cc2)[C@@H]1O</smiles> is an O-acyl carbohydrate that is beta-D-glucose bearing a cis-4-coumaroyl substituent at position 3. It has the role of metabolite. Its functional parent is beta-D-glucose. Its functional parent is cis-4-coumaric acid. It is also related to or classified as phenols . It is also related to or classified as cinnamate ester, O-acyl carbohydrate.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccncc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A glycophytoceramide having a 6-O-(4-pyridylcarbamoyl)-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen. It is also related to or classified as glycophytoceramide.
The molecule <smiles>COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> is A benzyltetrahydroisoquinoline that is norlaudanosoline carrying four methyl substituents at positions N-1, O-6, O-7 and O-4'. Its functional parent is norlaudanosoline.   It is also related to or classified as phenols . It is also related to or classified as benzylisoquinoline alkaloid, benzyltetrahydroisoquinoline, aromatic ether.
The molecule <smiles>O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)cc1)C(O)=O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of cis-coumaric acid with one of the hydroxy groups of meso-tartaric acid. It has the role of metabolite. Its functional parent is meso-tartaric acid. Its functional parent is cis-4-coumaric acid. It is also related to or classified as p-coutaric acid .
The molecule <smiles>COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> is the (S)-enantiomer of laudanine. Its functional parent is (S)-norlaudanosoline. It is also related to or classified as laudanine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A glycophytoceramide having a 6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen. It is also related to or classified as glycophytoceramide.
The molecule <smiles>O[C@H]([C@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of trans-coumaric acid with one of the hydroxy groups of meso-tartaric acid. It has the role of metabolite. Its functional parent is meso-tartaric acid. Its functional parent is trans-4-coumaric acid. It is also related to or classified as p-coutaric acid .
The molecule <smiles>[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)CO)NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCC)=O</smiles> is A galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as (R)-2-hydroxylignoceroyl. Its functional parent is (R)-2-hydroxylignoceric acid. It is a conjugate acid of 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1-). It is also related to or classified as galactosylceramide sulfate . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine .
The molecule <smiles>COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> is the (R)-enantiomer of laudanine. Its functional parent is (R)-norlaudanosoline. It is also related to or classified as laudanine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A glycophytoceramide having a 6-O-(1-naphthylcarbamoyl)-alpha-D-galactopyranosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. It is also related to or classified as glycophytoceramide.
The molecule <smiles>Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is A single-stranded DNA oligonucleotide comprised of four deoxyadenosine and three thymidine residues connected by 3'->5' phosphodiester linkages in the sequence AATTTAA. It is also related to or classified as single-stranded DNA oligonucleotide.
The molecule <smiles>CC(C(O)=O)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1</smiles> is A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group. It was used as a non-steroidal anti-inflammatory drug until 1982 when it was withdrawn from the market due to adverse side-effects including liver necrosis, photosensitivity, and carcinogenicity in animals. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of antipsoriatic. It has the role of hepatotoxic agent. It has the role of nephrotoxic agent. It has the role of protein kinase C agonist. It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. Its functional parent is propionic acid. It is also related to or classified as monocarboxylic acid, 1,3-benzoxazoles, monochlorobenzenes.
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is an AMP-sugar in which the 2'-hydroxy group of AMP carries a 5-phospho-beta-D-ribosyl substituent. Monomer unit of poly(ADP-Rib) [poly(adenosine diphosphate ribose)]. It is also related to or classified as AMP-sugar .
The molecule <smiles>COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> is A racemate composed of equimolar amounts of (R)- and (S)-laudanosoline. It is also related to or classified as racemate.
The molecule <smiles>COc1cc(\C=C/C(O)=O)ccc1O</smiles> is A ferulic acid consisting of cis-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. It has the role of platelet aggregation inhibitor. It has the role of plant metabolite. Its functional parent is cis-cinnamic acid. It is also related to or classified as ferulic acid .
The molecule <smiles>COc1cc(\C=C\C(=O)O[C@H]([C@@H](O)C(O)=O)C(O)=O)ccc1O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of L-tartaric acid. It has the role of metabolite. Its functional parent is L-tartaric acid. Its functional parent is trans-ferulic acid. It is also related to or classified as fertaric acid .
The molecule <smiles>COc1cc(\C=C/C(=O)O[C@H]([C@@H](O)C(O)=O)C(O)=O)ccc1O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of L-tartaric acid. It has the role of metabolite. Its functional parent is L-tartaric acid. Its functional parent is cis-ferulic acid. It is also related to or classified as fertaric acid .
The molecule <smiles>CCCCC(C(O)=O)C(=O)N(Nc1ccccc1)c1ccccc1</smiles> is A carbohydrazide obtained by formal condensation of one of the carboxy groups from butylmalonic acid with the hydrazino group of 1,2-diphenylhydrazine. Used (as its calcium semihydrate) for treatment of rheumatoid arthritis. It has the role of non-steroidal anti-inflammatory drug. It has the role of antipyretic. Its functional parent is malonic acid. It is a conjugate acid of bumadizone(1-).  It is also related to or classified as carbohydrazide . It is also related to or classified as monocarboxylic acid.
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is an AMP-sugar in which the 2'-hydroxy group of AMP carries a 5-phospho-beta-D-ribosyl substituent, the 2-hydroxy group of which itself carries a further 5-phospho-beta-D-ribosyl substituent. Branched portion of poly(ADP-Rib) [poly(adenosine diphosphate ribose)]. It is also related to or classified as AMP-sugar .
The molecule <smiles>[H][C@]12CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]1(C)C(=O)C[C@]1([H])[C@]2(C)[C@H](CC(=O)OC1(C)C)OC(C)=O)C1=COC=C1</smiles> is A limonoid with formula C28H34O9. It is commonly found in edible citrus fruits including lemons, limes, oranges, and grapefruits. The compound exhibits a variety of biological and pharmacological activities including anticancer, antiinflammatory, antiobesity, and antiviral. It has the role of geroprotector. It has the role of antioxidant. It has the role of hypoglycemic agent. It has the role of antineoplastic agent. It has the role of angiogenesis inhibitor. It has the role of immunomodulator. It has the role of anti-HIV-1 agent. It has the role of anti-inflammatory agent. It has the role of apoptosis inducer. It has the role of anti-obesity agent. It has the role of plant metabolite. It has the role of pregnane X receptor agonist. It has the role of skin lightening agent.  It is also related to or classified as lactone .  It is also related to or classified as epoxide .   It is also related to or classified as acetate ester . It is also related to or classified as furans, pentacyclic triterpenoid, organic heteropentacyclic compound, limonoid.
The molecule <smiles>COc1cc(\C=C/C(=O)O[C@@H]([C@H](O)C(O)=O)C(O)=O)ccc1O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of D-tartaric acid. It has the role of metabolite. Its functional parent is D-tartaric acid. Its functional parent is cis-ferulic acid. It is also related to or classified as fertaric acid .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCC</smiles> is A dialkyl ketone that is  nonacosane substituted by an oxo group at position 10. It has the role of plant metabolite. It is also related to or classified as dialkyl ketone .
The molecule <smiles>O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1</smiles> is A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer). It has the role of cyclooxygenase 1 inhibitor. It has the role of plant metabolite. It is also related to or classified as catechin . It is also related to or classified as polyphenol.
The molecule <smiles>Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3ccc(N)cc3=O)n3cc(C)c(=O)[nH]c3=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O</smiles> is A single-stranded DNA oligonucleotide comprised of four deoxyadenosine, two thymidine residues and one deoxycytidine residue connected by 3'->5' phosphodiester linkages in the sequence AATTCAA. It is also related to or classified as single-stranded DNA oligonucleotide.
The molecule <smiles>COc1ccc(cc1F)-c1c(Cl)ncn1-c1ccc(cc1)S(N)(=O)=O</smiles> is an imidazole substituted at positions 1, 4 and 5 by 4-aminosulfonylphenyl, chloro and 3-fluoro-4-methyoxyphenyl groups respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs. It has the role of non-steroidal anti-inflammatory drug. It has the role of cyclooxygenase 2 inhibitor.  It is also related to or classified as sulfonamide .  It is also related to or classified as organochlorine compound . It is also related to or classified as organofluorine compound . It is also related to or classified as imidazoles, aromatic ether.
The molecule <smiles>C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1</smiles> is A monocarboxylic acid that is (S)-hydratropic acid substituted at position 3 on the phenyl ring by a benzoyl group. A cyclooxygenase inhibitor, it is used to relieve short-term pain, such as muscular pain, dental pain and dysmenorrhoea. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. Its functional parent is (S)-hydratropic acid. It is also related to or classified as benzophenones, monocarboxylic acid.
The molecule <smiles>[Ca++].CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1</smiles> is an organic calcium salt having 2-[(1,2-diphenylhydrazino)carbonyl]hexanoate as the counterion. Used (as its hemihydrate) for treatment of rheumatoid arthritis. It has the role of non-steroidal anti-inflammatory drug. It has the role of antipyretic. It is also related to or classified as organic calcium salt.
The molecule <smiles>Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1</smiles> is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. It has the role of metabolite. Its functional parent is gallic acid. Its functional parent is (-)-catechin.   It is also related to or classified as flavans . It is also related to or classified as polyphenol, gallate ester.
The molecule <smiles>COc1ccc(CC2[NH+](C)CCc3cc(OC)c(OC)cc23)cc1O</smiles> is an organic cation that is the conjugate acid of laudanine, obtained by protonation of the tertiary amino group. It is a conjugate acid of laudanine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O</smiles> is an organic heterotricyclic compound that is 2H,5H-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4(3H)-dione 6,6-dioxide substituted at positions 3 and 5 by pyridin-2-yl and methyl groups respectively. A prodrug of piroxicam, it is used for the relief of pain and inflammation in musculoskeletal disorders such as rheumatoid arthritis and osteoarthritis. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of prodrug. It has the role of platelet aggregation inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of hepatotoxic agent. Its functional parent is piroxicam. It is also related to or classified as pyridines, organic heterotricyclic compound.
The molecule <smiles>N[C@@H](Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12)C(O)=O</smiles> is A L-tryptophan derivative that is L-tryptophan in which the hydrogen attached to the indole nitrogen replaced by a beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is beta-D-glucose. It is also related to or classified as N-glycosyl compound . It is also related to or classified as L-tryptophan derivative, monosaccharide derivative, non-proteinogenic L-alpha-amino acid.
The molecule <smiles>CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(cc1)S(C)(=O)=O</smiles> is an enol ether that is the cyclopropylmethyl ether of 3-hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2-one. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in horses and dogs. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antineoplastic agent. It has the role of cyclooxygenase 2 inhibitor. It is also related to or classified as sulfone . It is also related to or classified as enol ether . It is also related to or classified as butenolide . It is also related to or classified as cyclopropanes.
The molecule <smiles>CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1</smiles> is A monocarboxylic acid anion that is the conjugate base of bumadizone, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>COc1cc(\C=C\C(=O)O[C@@H]([C@H](O)C(O)=O)C(O)=O)ccc1O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of D-tartaric acid. Its functional parent is D-tartaric acid. Its functional parent is trans-ferulic acid. It is also related to or classified as fertaric acid .
The molecule <smiles>Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1</smiles> is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-epicatechin. It has the role of metabolite. Its functional parent is gallic acid. Its functional parent is (+)-epicatechin. It is also related to or classified as catechin . It is also related to or classified as polyphenol, gallate ester.
The molecule <smiles>Oc1ccc(cc1)\C=C/c1cc(O)cc2O[C@H]([C@@H](c12)c1cc(O)cc(O)c1)c1ccc(O)cc1</smiles> is A stilbenoid that is the (-)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol. It has the role of metabolite. Its functional parent is cis-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>Oc1ccc(\C=C\c2cc(O)cc3O[C@H]([C@H](c23)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1</smiles> is A stilbenoid that is the (2R,3S)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol. Its functional parent is trans-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>C1=CC=CC(=N1)NC(CC=2C=CC(=CC2)C3=CC=CC=C3)=O</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group from biphenyl-4-ylacetic acid with the amino group of 2-aminopyridine. Used for treatment of rheumatoid arthritis. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. Its functional parent is biphenyl-4-ylacetic acid.   It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as biphenyls, pyridines.
The molecule <smiles>Oc1ccc(cc1)\C=C/c1cc(O)cc2O[C@H]([C@H](c12)c1cc(O)cc(O)c1)c1ccc(O)cc1</smiles> is A stilbenoid that is the (2R,3S)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol. Its functional parent is cis-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>Oc1ccc(\C=C\c2cc(O)cc3O[C@@H]([C@@H](c23)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1</smiles> is A stilbenoid that is the (2S,3R)-trans-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of trans-resveratrol. Its functional parent is trans-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>Oc1ccc(cc1)[C@H]1Oc2ccc(\C=C\c3cc(O)cc(O)c3)cc2[C@@H]1c1cc(O)cc(O)c1</smiles> is A stilbenoid that is the (2S,3S)-trans-stereoisomer of delta-viniferin, obtained by cyclodimerisation of trans-resveratrol. Its functional parent is trans-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F</smiles> is A pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a 2-methyl-3-(trifluoromethyl)phenylamino group. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine (usually as the meglumine salt) for treatment of horses, cattle and pigs. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. Its functional parent is nicotinic acid. It is a conjugate acid of flunixin(1-).  It is also related to or classified as organofluorine compound . It is also related to or classified as pyridinemonocarboxylic acid, aminopyridine.
The molecule <smiles>CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F</smiles> is an organoammonium salt obtained by combining flunixin with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine for treatment of horses, cattle and pigs. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is also related to or classified as organoammonium salt.
The molecule <smiles>Oc1ccc(\C=C/c2ccc3O[C@@H]([C@H](c3c2)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1</smiles> is A stilbenoid that is the (2S,3S)-cis-stereoisomer of delta-viniferin, obtained by cyclodimerisation of cis-resveratrol. Its functional parent is cis-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>Oc1ccc(cc1)\C=C/c1cc(O)cc2O[C@@H]([C@@H](c12)c1cc(O)cc(O)c1)c1ccc(O)cc1</smiles> is A stilbenoid that is the (2S,3R)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol. Its functional parent is cis-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>O.[Ca++].[Ca++].CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1</smiles> is A hydrate that is the hemihydrate form of bumadizone calcium. Used for treatment of rheumatoid arthritis. It has the role of non-steroidal anti-inflammatory drug. It has the role of antipyretic. It is also related to or classified as hydrate.
The molecule <smiles>Oc1ccc(cc1)[C@@H]1Oc2ccc(\C=C\c3cc(O)cc(O)c3)cc2[C@H]1c1cc(O)cc(O)c1</smiles> is A stilbenoid that is the (2R,3R)-trans-stereoisomer of delta-viniferin, obtained by cyclodimerisation of trans-resveratrol. Its functional parent is trans-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>Oc1ccc(\C=C/c2ccc3O[C@H]([C@@H](c3c2)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1</smiles> is A stilbenoid that is the (2R,3R)-cis-stereoisomer of delta-viniferin, obtained by cyclodimerisation of cis-resveratrol. Its functional parent is cis-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>C[C@H](C(O)=O)c1ccc2oc(nc2c1)-c1ccc(F)cc1</smiles> is A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group (the S-enantiomer). Although it was shown to be effective in treatment of rheumatoid arthritis and osteoarthritis, the clinical use of flunoxaprofen was discontinued due to possible hepatotoxic side-effects. It has the role of non-steroidal anti-inflammatory drug. It has the role of antirheumatic drug. It has the role of hepatotoxic agent. It has the role of protein kinase C agonist. Its functional parent is propionic acid.  It is also related to or classified as organofluorine compound . It is also related to or classified as monocarboxylic acid, 1,3-benzoxazoles.
The molecule <smiles>Oc1ccc(cc1)\C=C/c1cc(O)cc2O[C@@H]([C@H](c12)c1cc(O)cc(O)c1)c1ccc(O)cc1</smiles> is A stilbenoid that is the (+)-cis-stereoisomer of epsilon-viniferin, obtained by cyclodimerisation of cis-resveratrol. Its functional parent is cis-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>Oc1cc(O)cc(c1)\C=C/c1ccc(O)c(O)c1</smiles> is A stilbenol that is cis-stilbene carrying four hydroxy substituents at positions 3, 5, 3', and 4'.  It is also related to or classified as stilbenol . It is also related to or classified as polyphenol.