1.0 2010-04-08 22:12:51 UTC 2025-11-19 01:52:11 UTC FDB017118 Catechin 7-gallate Isolated from roots of great burnet (Sanguisorba officinalis). Catechin 7-gallate is found in tea and herbs and spices. 7-Galloylcatechin Arachidyl palmitate Catechin 7-gallate Catechin 7-O-gallate Eicosanyl hexadecanoate Icosyl palmitate C22H18O10 442.3723 442.089996796 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate 89702-01-2 OC1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(O)C=C1 InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2 WKIHBIBUCQPPBY-UHFFFAOYSA-N belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin. Catechin gallates 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 Alkyl aryl ethers Benzoyl derivatives Carboxylic acid esters Catechols Galloyl esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Catechin gallate Catechol Chromane Ether Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxyflavonoid M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Secondary alcohol logp 2.26 ALOGPS logs -4.05 ALOGPS solubility 3.92e-02 g/l ALOGPS melting_point Mp 165-168° logp 2.85 ChemAxon pka_strongest_acidic 8 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 442.3723 ChemAxon mono_mass 442.089996796 ChemAxon smiles OC1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(O)C=C1 ChemAxon formula C22H18O10 ChemAxon inchi InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2 ChemAxon inchikey WKIHBIBUCQPPBY-UHFFFAOYSA-N ChemAxon polar_surface_area 177.14 ChemAxon refractivity 109.76 ChemAxon polarizability 42.93 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9628 Specdb::CMs 45605 Specdb::CMs 157485 Specdb::MsMs 73050 Specdb::MsMs 73051 Specdb::MsMs 73052 Specdb::MsMs 132129 Specdb::MsMs 132130 Specdb::MsMs 132131 Specdb::MsMs 2683260 Specdb::MsMs 2683261 Specdb::MsMs 2683262 Specdb::MsMs 3023049 Specdb::MsMs 3023050 Specdb::MsMs 3023051 HMDB37947 #<Reference:0x000055ce327d6bc0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442