1.0 2010-04-08 22:06:12 UTC 2025-11-18 22:56:00 UTC FDB004350 ent-Epigallocatechin 3-gallate Ent-epigallocatechin 3-gallate is a member of the class of compounds known as catechin gallates. Catechin gallates are organic compounds containing a gallate moiety glycosidically linked to a catechin. Ent-epigallocatechin 3-gallate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Ent-epigallocatechin 3-gallate can be found in tea, which makes ent-epigallocatechin 3-gallate a potential biomarker for the consumption of this food product. (+)-Epigallocatechin gallate ent-Epigallocatechin 3-gallate ent-Epigallocatechin gallate C22H18O11 458.3717 458.084911418 (2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 490-46-0 OC1=CC2=C(C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1 InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m0/s1 WMBWREPUVVBILR-RXVVDRJESA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol logp 2.38 ALOGPS logs -3.80 ALOGPS solubility 7.28e-02 g/l ALOGPS logp 3.08 ChemAxon pka_strongest_acidic 7.99 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac (2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 458.3717 ChemAxon mono_mass 458.084911418 ChemAxon smiles OC1=CC2=C(C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1 ChemAxon formula C22H18O11 ChemAxon inchi InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m0/s1 ChemAxon inchikey WMBWREPUVVBILR-RXVVDRJESA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 111.75 ChemAxon polarizability 42.2 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62148 Specdb::MsMs 62149 Specdb::MsMs 62150 Specdb::MsMs 118821 Specdb::MsMs 118822 Specdb::MsMs 118823 Specdb::MsMs 3600314 Specdb::MsMs 3600315 Specdb::MsMs 3600316 Specdb::MsMs 3600317 Specdb::MsMs 3600318 Specdb::MsMs 3600319 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442