1.0 2010-04-08 22:04:29 UTC 2025-11-18 22:16:28 UTC FDB000229 Gallic acid 3-O-gallate Digallic acid is a polyphenolic compound found in Pistacia lentiscus. Digallic acid is also present in the molecule of tannic acid. Digalloyl esters involve either -meta or -para depside bonds. [Wikipedia] Digallic acid Gallic acid 3-monogallate m-Digallic acid C14H10O9 322.225 322.032481902 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acid digallic acid 536-08-3 OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1 InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21) COVFEVWNJUOYRL-UHFFFAOYSA-N belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Depsides and depsidones Organic compounds Phenylpropanoids and polyketides Depsides and depsidones Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acid esters Carboxylic acids Catechols Dicarboxylic acids and derivatives Galloyl esters Hydrocarbon derivatives Organic oxides Phenol esters Phenoxy compounds Polyols Pyrogallols and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Catechol Depside backbone Dicarboxylic acid or derivatives Dihydroxybenzoic acid Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxybenzoic acid M-hydroxybenzoic acid ester Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid ester Phenol Phenol ester Phenoxy compound Polyol Pyrogallol derivative benzoate ester gallate ester logp 2.28 ALOGPS logs -3.10 ALOGPS solubility 2.57e-01 g/l ALOGPS logp 2.42 ChemAxon pka_strongest_acidic 3.91 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acid ChemAxon average_mass 322.225 ChemAxon mono_mass 322.032481902 ChemAxon smiles OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1 ChemAxon formula C14H10O9 ChemAxon inchi InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21) ChemAxon inchikey COVFEVWNJUOYRL-UHFFFAOYSA-N ChemAxon polar_surface_area 164.75 ChemAxon refractivity 75.02 ChemAxon polarizability 29.07 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44265 Specdb::MsMs 44266 Specdb::MsMs 44267 Specdb::MsMs 121308 Specdb::MsMs 121309 Specdb::MsMs 121310 Specdb::MsMs 2666929 Specdb::MsMs 2666930 Specdb::MsMs 2666931 Specdb::MsMs 3011939 Specdb::MsMs 3011940 Specdb::MsMs 3011941 Specdb::CMs 5913 Specdb::CMs 52754 Specdb::CMs 136376 Specdb::CMs 144110 30814 Beer Type 2 specific 0.26 0.26 0.26 mg/100 g Black tea Type 1 Evening primrose Type 1 specific Oenothera biennis 3942 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 Anti leukemic 393 A substance that inhibits or prevents the proliferation of neoplasms. HIV-reverse-transcriptase inhibitor 994 A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.