1.02010-04-08 22:04:29 UTC2020-02-24 19:11:07 UTCFDB000229Gallic acid 3-O-gallateDigallic 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 acidGallic acid 3-monogallatem-Digallic acidC14H10O9322.225322.0324819023,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic aciddigallic acid536-08-3OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1InChI=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 depsidonesOrganic compoundsPhenylpropanoids and polyketidesDepsides and depsidonesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsBenzoic acidsBenzoyl derivativesCarboxylic acid estersCarboxylic acidsCatecholsDicarboxylic acids and derivativesGalloyl estersHydrocarbon derivativesOrganic oxidesPhenol estersPhenoxy compoundsPolyolsPyrogallols and derivativesm-Hydroxybenzoic acid estersp-Hydroxybenzoic acid esters1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic homomonocyclic compoundBenzenetriolBenzenoidBenzoate esterBenzoic acidBenzoic acid or derivativesBenzoylCarboxylic acidCarboxylic acid derivativeCarboxylic acid esterCatecholDepside backboneDicarboxylic acid or derivativesDihydroxybenzoic acidGallic acid or derivativesGalloyl esterHydrocarbon derivativeHydroxybenzoic acidM-hydroxybenzoic acid esterMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-hydroxybenzoic acid esterPhenolPhenol esterPhenoxy compoundPolyolPyrogallol derivativebenzoate estergallate esterlogp2.28logs-3.10solubility2.57e-01 g/llogp2.42pka_strongest_acidic3.91pka_strongest_basic-4.8iupac3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acidaverage_mass322.225mono_mass322.032481902smilesOC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1formulaC14H10O9inchiInChI=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)inchikeyCOVFEVWNJUOYRL-UHFFFAOYSA-Npolar_surface_area164.75refractivity75.02polarizability29.07rotatable_bond_count4acceptor_count8donor_count6physiological_charge-1formal_charge0Specdb::CMs5913Specdb::CMs52754Specdb::CMs136376Specdb::CMs144110Specdb::MsMs44265Specdb::MsMs44266Specdb::MsMs44267Specdb::MsMs121308Specdb::MsMs121309Specdb::MsMs121310Specdb::MsMs2666929Specdb::MsMs2666930Specdb::MsMs2666931Specdb::MsMs3011939Specdb::MsMs3011940Specdb::MsMs301194130814BeerType 2specific0.260.260.26mg/100 gBlack teaType 1Evening primroseType 1specificOenothera biennis3942Green teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442anti leukemic393A substance that inhibits or prevents the proliferation of neoplasms.HIV-reverse-transcriptase inhibitor994A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.