1.0 2016-05-26 05:09:50 UTC 2026-04-06 02:02:29 UTC Gallocatechin 3-gallate SmallMolecule Gallocatechin 3-gallate is an organic compound with the formula C22H18O11 and an average molecular weight of 458.37 g/mol. Gallocatechin 3-gallate belongs to the flavans, a subclass of flavonoids within the organic compounds. It is further categorized under the superclass of phenylpropanoids and polyketides. This compound is found in or released from 14 recorded sources across various sectors. In the energy, oil & gas and industrial manufacturing & chemical processing sectors, it is associated with lubricants. Within the healthcare, pharmaceuticals & veterinary products sector, it is linked to medical devices. It is also found in textiles, leather & furnishings, specifically in carpets, rugs, and synthetic textiles. In the food, food processing & cookware sector, it is related to food packaging and the preparation of vinegar. Additionally, it is present in electrical & electronic equipment, including batteries, capacitors, printed circuit boards, wires and cables, cell phones, and one other source. One additional sector is also recorded. Recorded exposure routes for gallocatechin 3-gallate include oral, inhalation, and touch. PFAS Phytotoxin C22H18O11 458.3717 458.084911418 (2R,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate gallocatechin 3-O-gallate 5127-64-0 OC1=CC(O)=C2C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)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-GHTZIAJQSA-N Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Catechin gallates 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 Epigallocatechins Galloyl esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Pyrogallols and derivatives m-Hydroxybenzoic acid esters 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 Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Catechin gallate Chromane Epigallocatechin 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 alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Aromatic heteropolycyclic compounds Flavans, Flavanols and Leucoanthocyanidins Detected and Not Quantified 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 (2R,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=CC(O)=C2C[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)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-GHTZIAJQSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 111.75 ChemAxon polarizability 42.87 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae9d7948> 5276890 4440832