1.0 2016-09-30 22:39:06 UTC 2020-06-04 20:00:53 UTC BMDB0000954 BMDB00954 trans-Ferulic acid (e)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid (e)-4'-Hydroxy-3'-methoxycinnamic acid (e)-4-Hydroxy-3-methoxycinnamic acid (e)-Ferulic acid 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-Methoxy-4-hydroxy-trans-cinnamic acid 4-Hydroxy-3-methoxycinnamic acid trans-4-Hydroxy-3-methoxycinnamic acid 3-Methoxy-4-hydroxy-trans-cinnamate 4-Hydroxy-3-methoxycinnamate (e)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate (e)-4'-Hydroxy-3'-methoxycinnamate (e)-4-Hydroxy-3-methoxycinnamate (e)-Ferulate 3-(4-Hydroxy-3-methoxyphenyl)propenoate trans-4-Hydroxy-3-methoxycinnamate trans-Ferulate Ferulate (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid (e)-4-Hydroxy-3-methoxy-cinnamate (e)-4-Hydroxy-3-methoxy-cinnamic acid Ferulic acid, (e)-isomer Ferulic acid, monosodium salt Sodium ferulate Ferulic acid, (Z)-isomer 8,8'-Diferulic acid (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-acrylic acid (2E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid (E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid Fumalic acid 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid 3-Methoxy-4-hydroxycinnamic acid 4'-Hydroxy-3'-methoxycinnamic acid Coniferic acid Ferulaic acid 4’-Hydroxy-3’-methoxycinnamic acid C10H10O4 194.184 194.057908808 (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ferulic acid 537-98-4 COC1=C(O)C=CC(\C=C\C(O)=O)=C1 InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-N belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Hydroxycinnamic acids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Cinnamic acids Coumaric acids and derivatives Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Cinnamic acid Coumaric acid or derivatives Ether Hydrocarbon derivative Hydroxycinnamic acid Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene Aromatic homomonocyclic compounds Coniferyl alcohol derivatives ferulic acids Solid melting_point 168 - 171 °C logp 1.51 HANSCH,C ET AL. (1995) logp 1.58 ALOGPS logs -2.33 ALOGPS logp 1.67 ChemAxon pka_strongest_acidic 3.77 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ChemAxon average_mass 194.184 ChemAxon mono_mass 194.057908808 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(O)=O)=C1 ChemAxon formula C10H10O4 ChemAxon inchi InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ ChemAxon inchikey KSEBMYQBYZTDHS-HWKANZROSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 51.5 ChemAxon polarizability 19.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1560 Specdb::NmrOneD 1619 Specdb::NmrOneD 3807 Specdb::NmrOneD 4072 Specdb::NmrOneD 5019 Specdb::NmrOneD 5020 Specdb::EiMs 1718 Specdb::CMs 680 Specdb::CMs 681 Specdb::CMs 682 Specdb::CMs 683 Specdb::CMs 1790 Specdb::CMs 2348 Specdb::CMs 28716 Specdb::CMs 29842 Specdb::CMs 29843 Specdb::CMs 30246 Specdb::CMs 30287 Specdb::CMs 30539 Specdb::CMs 30745 Specdb::CMs 31267 Specdb::CMs 31813 Specdb::CMs 37862 Specdb::CMs 130994 Specdb::CMs 138728 Specdb::CMs 1082466 Specdb::CMs 1082467 Specdb::CMs 1082468 Specdb::CMs 1082469 Specdb::CMs 1082470 Specdb::MsIr 987 Specdb::MsIr 988 Specdb::MsIr 989 Specdb::MsMs 1348 Specdb::MsMs 1349 Specdb::MsMs 1350 Specdb::MsMs 4945 Specdb::MsMs 4946 Specdb::MsMs 4947 Specdb::MsMs 4948 Specdb::MsMs 4949 Specdb::MsMs 4950 Specdb::MsMs 4955 Specdb::MsMs 4956 Specdb::MsMs 4957 Specdb::MsMs 177975 Specdb::MsMs 177976 Specdb::MsMs 177977 Specdb::MsMs 180288 Specdb::MsMs 180289 Specdb::MsMs 180290 Specdb::MsMs 437890 Specdb::MsMs 437891 Specdb::MsMs 437892 Specdb::MsMs 437893 Specdb::MsMs 437894 Specdb::MsMs 439008 Specdb::MsMs 439796 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Fibroblasts Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 393368 DB07767 FDB012802 499 445858 C01494 C00002743 17620 Ferulic_Acid 4156 FERULIC-ACID Ou, Shiyi; Zhang, Jing; Bao, Huiyan; Zhang, Ning; Li, Aijun. Method for preparing oligosaccharide and trans-ferulic acid. Faming Zhuanli Shenqing Gongkai Shuomingshu (2003), 8 pp.