1.0 2010-04-08 22:09:21 UTC 2025-11-18 23:22:44 UTC FDB010882 Epicatechin-(6'->8)-epicatechin Isolated from Chardonnay grape pomace. Epicatechin-(6'->8)-epicatechin is found in alcoholic beverages and fruits. Epicatechin(6'->8)epicatechin C30H26O12 578.5202 578.142426296 8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 29106-49-8 OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C(=C(O)C=C2O)C1=C(C=C(O)C(O)=C1)C1OC2=C(CC1O)C(O)=CC(O)=C2 InChI=1S/C30H26O12/c31-12-4-18(33)15-8-25(40)29(41-26(15)5-12)14-7-22(37)21(36)6-13(14)27-23(38)10-19(34)16-9-24(39)28(42-30(16)27)11-1-2-17(32)20(35)3-11/h1-7,10,24-25,28-29,31-40H,8-9H2 NFKUCWGVXFRSRX-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. Catechins 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 7-hydroxyflavonoids Alkyl aryl ethers Biphenols Catechols Hydrocarbon derivatives Oxacyclic compounds Polyols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Biphenol Catechin Catechol Chromane Ether Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Secondary alcohol logp 2.13 ALOGPS logs -3.84 ALOGPS solubility 8.37e-02 g/l ALOGPS logp 3.26 ChemAxon pka_strongest_acidic 8.58 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 8-[4,5-dihydroxy-2-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol ChemAxon average_mass 578.5202 ChemAxon mono_mass 578.142426296 ChemAxon smiles OC1CC2=C(OC1C1=CC=C(O)C(O)=C1)C(=C(O)C=C2O)C1=C(C=C(O)C(O)=C1)C1OC2=C(CC1O)C(O)=CC(O)=C2 ChemAxon formula C30H26O12 ChemAxon inchi InChI=1S/C30H26O12/c31-12-4-18(33)15-8-25(40)29(41-26(15)5-12)14-7-22(37)21(36)6-13(14)27-23(38)10-19(34)16-9-24(39)28(42-30(16)27)11-1-2-17(32)20(35)3-11/h1-7,10,24-25,28-29,31-40H,8-9H2 ChemAxon inchikey NFKUCWGVXFRSRX-UHFFFAOYSA-N ChemAxon polar_surface_area 220.76 ChemAxon refractivity 147.08 ChemAxon polarizability 56.69 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 12 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12302 Specdb::MsMs 12303 Specdb::MsMs 12304 Specdb::MsMs 18974 Specdb::MsMs 18975 Specdb::MsMs 18976 Specdb::MsMs 2724476 Specdb::MsMs 2724477 Specdb::MsMs 2724478 Specdb::MsMs 2957013 Specdb::MsMs 2957014 Specdb::MsMs 2957015 Specdb::CMs 10205 Specdb::CMs 43017 Specdb::CMs 282486 Specdb::CMs 383005 Specdb::CMs 383006 Specdb::CMs 383007 Specdb::CMs 383008 Specdb::CMs 383009 Specdb::CMs 383010 Specdb::CMs 383011 Specdb::CMs 383012 Specdb::CMs 383013 Specdb::CMs 383014 Specdb::CMs 383015 Specdb::CMs 383016 Specdb::CMs 383017 Specdb::CMs 383018 Specdb::CMs 383019 Specdb::CMs 383020 Specdb::CMs 383021 Specdb::CMs 383022 Specdb::CMs 383023 Specdb::CMs 383024 Specdb::CMs 383025 Specdb::CMs 383026 HMDB0032900 Alcoholic beverages Unknown generic Fruits Unknown generic