1.0 2010-04-08 22:04:30 UTC 2025-11-18 22:16:41 UTC FDB000262 Hydroxycaffeic acid Hydroxycaffeic acid, also known as hydroxycaffeate, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Hydroxycaffeic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Hydroxycaffeic acid can be found in olive, which makes hydroxycaffeic acid a potential biomarker for the consumption of this food product. C9H8O5 196.1568 196.037173366 (2E)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid (2E)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid [H]\C(=C(\[H])C1=C(O)C(O)=C(O)C=C1)C(O)=O InChI=1S/C9H8O5/c10-6-3-1-5(2-4-7(11)12)8(13)9(6)14/h1-4,10,13-14H,(H,11,12)/b4-2+ RHGWNBSOWGUGPA-DUXPYHPUSA-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. Hydroxycinnamic acids 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 5-unsubstituted pyrrogallols Carbonyl compounds Carboxylic acids Cinnamic acids Coumaric acids and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 5-unsubstituted pyrrogallol Aromatic homomonocyclic compound Benzenetriol Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Cinnamic acid Coumaric acid or derivatives Hydrocarbon derivative Hydroxycinnamic acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Polyol Pyrogallol derivative Styrene logp 1.48 ALOGPS logs -2.14 ALOGPS solubility 1.43e+00 g/l ALOGPS logp 1.23 ChemAxon pka_strongest_acidic 3.38 ChemAxon pka_strongest_basic -6 ChemAxon iupac (2E)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid ChemAxon average_mass 196.1568 ChemAxon mono_mass 196.037173366 ChemAxon smiles [H]\C(=C(\[H])C1=C(O)C(O)=C(O)C=C1)C(O)=O ChemAxon formula C9H8O5 ChemAxon inchi InChI=1S/C9H8O5/c10-6-3-1-5(2-4-7(11)12)8(13)9(6)14/h1-4,10,13-14H,(H,11,12)/b4-2+ ChemAxon inchikey RHGWNBSOWGUGPA-DUXPYHPUSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 49 ChemAxon polarizability 18.05 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5847 Specdb::CMs 51546 Specdb::CMs 130872 Specdb::CMs 138606 Specdb::MsIr 10816 Specdb::MsIr 10817 Specdb::MsIr 10818 Specdb::MsMs 91824 Specdb::MsMs 91825 Specdb::MsMs 91826 Specdb::MsMs 155307 Specdb::MsMs 155308 Specdb::MsMs 155309 Specdb::MsMs 2743780 Specdb::MsMs 2743781 Specdb::MsMs 2743782 Specdb::MsMs 2934393 Specdb::MsMs 2934394 Specdb::MsMs 2934395 Olive Type 1 specific Olea europaea 4146 0.0055 0.0055 0.0055 mg/100 g