1.0 2010-04-08 22:15:00 UTC 2019-11-26 03:18:52 UTC FDB020400 Epitheaflavic acid Isolated from black tea Camellia sinensis. Epitheaflavic acid is found in tea. Epitheaflavic acid C21H16O10 428.3457 428.074346732 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulene-8-carboxylic acid 1,2,8-trihydroxy-9-oxo-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)benzo[7]annulene-6-carboxylic acid 30407-93-3 OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C(O)=O InChI=1S/C21H16O10/c22-8-3-12(23)11-6-15(26)20(31-16(11)4-8)10-5-14(25)19(28)17-9(10)1-7(21(29)30)2-13(24)18(17)27/h1-5,15,20,22-23,25-26,28H,6H2,(H,24,27)(H,29,30) SDSXQESYQIRNNR-UHFFFAOYSA-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 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Carboxylic acids Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tropolones 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Carboxylic acid Carboxylic acid derivative Catechin Chromane Cyclic ketone Ether Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tropolone Tropone logp 1.48 ALOGPS logs -3.23 ALOGPS solubility 2.54e-01 g/l ALOGPS logp 1.55 ChemAxon pka_strongest_acidic 3.34 ChemAxon pka_strongest_basic 2.6 ChemAxon iupac 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulene-8-carboxylic acid ChemAxon average_mass 428.3457 ChemAxon mono_mass 428.074346732 ChemAxon smiles OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C2=C1C=C(C=C(O)C2=O)C(O)=O ChemAxon formula C21H16O10 ChemAxon inchi InChI=1S/C21H16O10/c22-8-3-12(23)11-6-15(26)20(31-16(11)4-8)10-5-14(25)19(28)17-9(10)1-7(21(29)30)2-13(24)18(17)27/h1-5,15,20,22-23,25-26,28H,6H2,(H,24,27)(H,29,30) ChemAxon inchikey SDSXQESYQIRNNR-UHFFFAOYSA-N ChemAxon polar_surface_area 184.98 ChemAxon refractivity 107.05 ChemAxon polarizability 40.9 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21096 Specdb::CMs 46859 Specdb::CMs 146392 Specdb::MsMs 12575 Specdb::MsMs 12576 Specdb::MsMs 12577 Specdb::MsMs 19247 Specdb::MsMs 19248 Specdb::MsMs 19249 Specdb::MsMs 2445631 Specdb::MsMs 2445632 Specdb::MsMs 2445633 Specdb::MsMs 2517144 Specdb::MsMs 2517145 Specdb::MsMs 2517146 HMDB40609 #<Reference:0x000055ce32704cb0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442