1.0 2010-04-08 22:09:29 UTC 2025-11-18 23:24:54 UTC FDB011148 3,4-Dihydroxycinnamoyl-(E)-2-(3,4-dihydroxyphenyl)ethenol Isolated from the callus cultures of Lavandula angustifolia (lavender). 1-O-3,4-Dihydroxy-(E)-cinnamoyl-(E)-2-(3,4-dihydroxyphenyl)ethenol 1-O-3,4-Dihydroxy-(E)-cinnamoyl-3,4-dihydroxystyryl alcohol 3,4-Dihydroxycinnamoyl-(E)-2-(3,4-dihydroxyphenyl)ethenol C17H14O6 314.2895 314.07903818 (E)-2-(3,4-dihydroxyphenyl)ethenyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (E)-2-(3,4-dihydroxyphenyl)ethenyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 99816-39-4 OC1=C(O)C=C(\C=C\OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1 InChI=1S/C17H14O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-10,18-21H/b6-3+,8-7+ GFZFUVWXGQWUGX-ZICOWINBSA-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 Enol 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 Enol ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene logp 3.04 ALOGPS logs -4.16 ALOGPS solubility 2.17e-02 g/l ALOGPS logp 3.41 ChemAxon pka_strongest_acidic 8.88 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac (E)-2-(3,4-dihydroxyphenyl)ethenyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate ChemAxon average_mass 314.2895 ChemAxon mono_mass 314.07903818 ChemAxon smiles OC1=C(O)C=C(\C=C\OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1 ChemAxon formula C17H14O6 ChemAxon inchi InChI=1S/C17H14O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-10,18-21H/b6-3+,8-7+ ChemAxon inchikey GFZFUVWXGQWUGX-ZICOWINBSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 85.21 ChemAxon polarizability 31.73 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14336 Specdb::CMs 43117 Specdb::CMs 159488 Specdb::MsMs 84480 Specdb::MsMs 84481 Specdb::MsMs 84482 Specdb::MsMs 146352 Specdb::MsMs 146353 Specdb::MsMs 146354 Specdb::MsMs 2833575 Specdb::MsMs 2833576 Specdb::MsMs 2833577 Specdb::MsMs 2871320 Specdb::MsMs 2871321 Specdb::MsMs 2871322 HMDB0033146