1.0 2010-04-08 22:14:00 UTC 2025-11-19 02:15:26 UTC FDB018880 Epicatechin 3-p-hydroxybenzoate Isolated from oolong tea (Camellia sinensis variety assamica). Epicatechin 3-p-hydroxybenzoate is found in tea. (-)-Epicatechin 3-O-p-hydroxybenzoate 3-(4-Hydroxybenzoyl)epicatechin Epicatechin 3-O-p-hydroxybenzoate Epicatechin 3-p-hydroxybenzoate C22H18O8 410.3735 410.100167552 (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 4-hydroxybenzoate (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 4-hydroxybenzoate 108907-45-5 OC1=CC=C(C=C1)C(=O)O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O InChI=1S/C22H18O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h1-9,20-21,23-27H,10H2/t20-,21-/m1/s1 HRNWMQFQEGGZKA-NHCUHLMSSA-N belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Catechins Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Benzoyl derivatives Carboxylic acid esters Catechols Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds p-Hydroxybenzoic acid alkyl esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Catechin Catechol Chromane Ether Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Flavans, Flavanols and Leucoanthocyanidins logp 2.84 ALOGPS logs -4.36 ALOGPS solubility 1.80e-02 g/l ALOGPS logp 3.99 ChemAxon pka_strongest_acidic 8.33 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 4-hydroxybenzoate ChemAxon average_mass 410.3735 ChemAxon mono_mass 410.100167552 ChemAxon smiles OC1=CC=C(C=C1)C(=O)O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O ChemAxon formula C22H18O8 ChemAxon inchi InChI=1S/C22H18O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h1-9,20-21,23-27H,10H2/t20-,21-/m1/s1 ChemAxon inchikey HRNWMQFQEGGZKA-NHCUHLMSSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 105.8 ChemAxon polarizability 40.12 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14346 Specdb::CMs 46365 Specdb::CMs 131033 Specdb::CMs 138767 Specdb::MsMs 49569 Specdb::MsMs 49570 Specdb::MsMs 49571 Specdb::MsMs 164850 Specdb::MsMs 164851 Specdb::MsMs 164852 Specdb::MsMs 2811107 Specdb::MsMs 2811108 Specdb::MsMs 2811109 Specdb::MsMs 2893991 Specdb::MsMs 2893992 Specdb::MsMs 2893993 HMDB39327 #<Reference:0x00007f093c195c48> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442