1.0 2010-04-08 22:10:36 UTC 2025-11-18 23:42:36 UTC FDB013240 Epicatechin-(2beta->7,4beta->6)-catechin Constituent of the skins of peanuts (Arachis hypogaea). Epicatechin-(2beta->7,4beta->6)-catechin is found in nuts. Epicatechin-(2b->7,4b->6)-catechin C30H24O12 576.5044 576.126776232 7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),3,9,15(20),16,18-hexaene-3,6,17,19,21-pentol 7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),3,9,15(20),16,18-hexaene-3,6,17,19,21-pentol OC1CC2=C(O)C3=C(OC4(OC5=C(C3C4O)C(O)=CC(O)=C5)C3=CC=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(O)C=C1 InChI=1S/C30H24O12/c31-13-7-19(36)24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-23(42-30)10-21-14(27(25)38)9-20(37)28(40-21)11-1-3-15(32)17(34)5-11/h1-8,10,20,26,28-29,31-39H,9H2 BEPYKTSNKZMROV-UHFFFAOYSA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids A-type proanthocyanidins Alkyl aryl ethers Benzene and substituted derivatives Catechins Catechols Hydrocarbon derivatives Ketals Oxacyclic compounds Polyols Pyranochromenes Pyranoflavonoids Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid A-type proanthocyanidin Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Bi- and polyflavonoid skeleton Catechin Catechol Chromane Ether Flavan Flavan-3-ol Hydrocarbon derivative Hydroxyflavonoid Ketal Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Proanthocyanidin Pyranochromene Pyranoflavonoid Secondary alcohol logp 2.46 ALOGPS logs -3.68 ALOGPS solubility 1.20e-01 g/l ALOGPS melting_point Mp 271-273° dec. logp 3.59 ChemAxon pka_strongest_acidic 8.67 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 7,13-bis(3,4-dihydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),3,9,15(20),16,18-hexaene-3,6,17,19,21-pentol ChemAxon average_mass 576.5044 ChemAxon mono_mass 576.126776232 ChemAxon smiles OC1CC2=C(O)C3=C(OC4(OC5=C(C3C4O)C(O)=CC(O)=C5)C3=CC=C(O)C(O)=C3)C=C2OC1C1=CC(O)=C(O)C=C1 ChemAxon formula C30H24O12 ChemAxon inchi InChI=1S/C30H24O12/c31-13-7-19(36)24-22(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-23(42-30)10-21-14(27(25)38)9-20(37)28(40-21)11-1-3-15(32)17(34)5-11/h1-8,10,20,26,28-29,31-39H,9H2 ChemAxon inchikey BEPYKTSNKZMROV-UHFFFAOYSA-N ChemAxon polar_surface_area 209.76 ChemAxon refractivity 144.2 ChemAxon polarizability 56.64 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14583 Specdb::CMs 44012 Specdb::CMs 282438 Specdb::CMs 375130 Specdb::CMs 375131 Specdb::CMs 375132 Specdb::CMs 375133 Specdb::CMs 375134 Specdb::CMs 375135 Specdb::CMs 375136 Specdb::CMs 375137 Specdb::CMs 375138 Specdb::CMs 375139 Specdb::CMs 375140 Specdb::CMs 375141 Specdb::CMs 375142 Specdb::CMs 375143 Specdb::CMs 375144 Specdb::CMs 375145 Specdb::CMs 375146 Specdb::CMs 375147 Specdb::CMs 375148 Specdb::CMs 375149 Specdb::CMs 375150 Specdb::CMs 375151 Specdb::MsMs 6827 Specdb::MsMs 6828 Specdb::MsMs 6829 Specdb::MsMs 13499 Specdb::MsMs 13500 Specdb::MsMs 13501 Specdb::MsMs 3057422 Specdb::MsMs 3057423 Specdb::MsMs 3057424 Specdb::MsMs 3113753 Specdb::MsMs 3113754 Specdb::MsMs 3113755 HMDB0034707 Nuts Unknown generic