1.0 2010-04-08 22:15:25 UTC 2025-11-19 02:35:06 UTC FDB021025 Prenyl trans-caffeate Constituent of Populus subspecies 1,1-Dimethylallyl caffeic acid ester 3-Methyl-2-butenyl caffeate Cinnamic acid, 3,4-dihydroxy-, 3-methyl-2-butenyl ester Isoprenyl caffeate Prenyl caffeate Prenyl trans-caffeate C14H16O4 248.2744 248.104859 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate prenyl caffeate 118971-61-2 CC(C)=CCOC(=O)\C=C\C1=CC=C(O)C(O)=C1 InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+ TTYOHMFLCXENHR-GQCTYLIASA-N belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumaric acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Carbonyl compounds Catechols Cinnamic acid esters Enoate esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alpha,beta-unsaturated carboxylic ester Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Cinnamic acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene hydroxycinnamic acid logp 3.24 ALOGPS logs -3.20 ALOGPS solubility 1.57e-01 g/l ALOGPS logp 3.27 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate ChemAxon average_mass 248.2744 ChemAxon mono_mass 248.104859 ChemAxon smiles CC(C)=CCOC(=O)\C=C\C1=CC=C(O)C(O)=C1 ChemAxon formula C14H16O4 ChemAxon inchi InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+ ChemAxon inchikey TTYOHMFLCXENHR-GQCTYLIASA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 70.91 ChemAxon polarizability 26.74 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5905 Specdb::CMs 47141 Specdb::CMs 156611 Specdb::MsMs 241069 Specdb::MsMs 241070 Specdb::MsMs 241071 Specdb::MsMs 243124 Specdb::MsMs 243125 Specdb::MsMs 243126 Specdb::MsMs 2779669 Specdb::MsMs 2779670 Specdb::MsMs 2779671 Specdb::MsMs 2903151 Specdb::MsMs 2903152 Specdb::MsMs 2903153 HMDB0041140