1.02011-09-21 01:46:31 UTC2015-07-21 06:59:33 UTCFDB028870EntacaponeEntacapone is an inhibitor drug of catechol O-methyltransferase, which catalyzes the reaction between catechol and S-adenosyl-L-methionine to produce guaiacol and S-adenosyl-L-homocysteine. [HMDB](e)-a-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide(e)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide(e)-α-cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide2-cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamidecomtanComtessEntacaponaEntacaponumN,N-Diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamideC14H15N3O5305.286305.101170605130929-57-6CCN(CC)C(=O)C(=CC1=CC(=C(O)C(O)=C1)[N+]([O-])=O)C#NInChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3JRURYQJSLYLRLN-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.Hydroxycinnamic acids and derivativesOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesHydroxycinnamic acids and derivativesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsCarbonyl compoundsCatecholsHydrocarbon derivativesNitrilesNitroaromatic compoundsNitrobenzenesNitrophenolsOrganic oxidesOrganic oxoazanium compoundsOrganic zwitterionsOrganopnictogen compoundsPropargyl-type 1,3-dipolar organic compoundsTertiary carboxylic acid amides1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAllyl-type 1,3-dipolar organic compoundAromatic homomonocyclic compoundBenzenoidC-nitro compoundCarbonitrileCarbonyl groupCarboxamide groupCarboxylic acid derivativeCatecholHydrocarbon derivativeHydroxycinnamic acid or derivativesMonocyclic benzene moietyNitrileNitroaromatic compoundNitrobenzeneNitrophenolOrganic 1,3-dipolar compoundOrganic nitro compoundOrganic nitrogen compoundOrganic oxideOrganic oxoazaniumOrganic oxygen compoundOrganic zwitterionOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPhenolPropargyl-type 1,3-dipolar organic compoundTertiary carboxylic acid amideSolidaverage_mass305.286mono_mass305.101170605smilesCCN(CC)C(=O)C(=CC1=CC(=C(O)C(O)=C1)[N+]([O-])=O)C#NformulaC14H15N3O5inchiInChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3inchikeyJRURYQJSLYLRLN-UHFFFAOYSA-NSpecdb::CMs113028Specdb::CMs126668Specdb::CMs863428Specdb::CMs863429Specdb::CMs863430Specdb::CMs863431Specdb::CMs863432Specdb::CMs863433HMDB122264798UDP-glucuronosyltransferase 1-9O60656UGT1A9