1.02010-04-08 22:07:30 UTC2019-11-26 03:01:33 UTCFDB007223ProcyanidinProcyanidin, also known as epicatechin-4alpha,8-epicatechin, is a member of the class of compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol. Procyanidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Procyanidin can be found in cloves, ginkgo nuts, and soursop, which makes procyanidin a potential biomarker for the consumption of these food products. Procyanidins are members of the proanthocyanidin (or condensed tannins) class of flavonoids. They are oligomeric compounds, formed from catechin and epicatechin molecules. They yield cyanidin when depolymerized under oxidative conditions .ProcyanidinsC30H26O13594.525594.1373408972-(3,4-dihydroxyphenyl)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol2-(3,4-dihydroxyphenyl)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4-dihydro-1-benzopyran-3,4,5,7-tetrolOC1C(O)C(OC2CC3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)(OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C(O)=C1InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2HGVVOUNEGQIPMS-UHFFFAOYSA-N belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.CatechinsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavansAromatic heteropolycyclic compounds1,2-diols1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids4-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersBenzylethersCatecholsHydrocarbon derivativesKetalsOxacyclic compoundsSecondary alcohols1,2-diol1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid3-hydroxyflavonoid4'-hydroxyflavonoid4-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAcetalAlcoholAlkyl aryl etherAromatic heteropolycyclic compoundBenzenoidBenzopyranBenzyletherCatechinCatecholChromaneEtherHydrocarbon derivativeHydroxyflavonoidKetalMonocyclic benzene moietyOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPolyolSecondary alcohollogp2.27logs-3.49solubility1.92e-01 g/llogp3.64pka_strongest_acidic8.64pka_strongest_basic-4.7iupac2-(3,4-dihydroxyphenyl)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrolaverage_mass594.525mono_mass594.137340897smilesOC1C(O)C(OC2CC3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)(OC2=CC(O)=CC(O)=C12)C1=CC=C(O)C(O)=C1formulaC30H26O13inchiInChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2inchikeyHGVVOUNEGQIPMS-UHFFFAOYSA-Npolar_surface_area229.99refractivity147.16polarizability57.25rotatable_bond_count4acceptor_count13donor_count10physiological_charge0formal_charge0Specdb::MsMs73293Specdb::MsMs73294Specdb::MsMs73295Specdb::MsMs132441Specdb::MsMs132442Specdb::MsMs132443ClovesType 1specificSyzygium aromaticum219868Ginkgo nutsType 1specificGinkgo biloba3311SoursopType 1specificAnnona muricata13337anti allergic103A drug used to treat allergic reactions.anti bacterial145A substance that kills or slows the growth of bacteria.anti edemic248anti exudative273anti HIV333A substance that destroys or inhibits replication of viruses.anti viral689A substance that destroys or inhibits replication of viruses.antibiotic147A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.capillariprotective760hyaluronidase inhibitor998A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.xanthine oxidase inhibitor1431An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).