1.0 2010-04-08 22:15:30 UTC 2019-11-26 03:19:57 UTC FDB021145 ent-Epicatechin-(4alpha->6)-ent-epicatechin Constituent of Byrsonima crassifolia (nance). ent-Epicatechin-(4alpha->6)-ent-epicatechin is found in fruits. ent-Epicatechin(4a->6)-ent-epicatechin C30H26O12 578.5202 578.142426296 2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2 GMISZFQPFDAPGI-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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers B-type proanthocyanidins Benzene and substituted derivatives Catechins 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 B-type proanthocyanidin Benzenoid Benzopyran Bi- and polyflavonoid skeleton Catechin Catechol Chromane Ether Flavan Flavan-3-ol Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Proanthocyanidin Secondary alcohol logp 2.31 ALOGPS logs -3.65 ALOGPS solubility 1.31e-01 g/l ALOGPS logp 3.12 ChemAxon pka_strongest_acidic 8.7 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-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(O)=C(O)C=C1)C=C(O)C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O ChemAxon formula C30H26O12 ChemAxon inchi InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2 ChemAxon inchikey GMISZFQPFDAPGI-UHFFFAOYSA-N ChemAxon polar_surface_area 220.76 ChemAxon refractivity 146.51 ChemAxon polarizability 57.29 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 12 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18755 Specdb::CMs 47199 Specdb::CMs 282495 Specdb::CMs 385916 Specdb::CMs 385917 Specdb::CMs 385918 Specdb::CMs 385919 Specdb::CMs 385920 Specdb::CMs 385921 Specdb::CMs 385922 Specdb::CMs 385923 Specdb::CMs 385924 Specdb::CMs 385925 Specdb::CMs 385926 Specdb::CMs 385927 Specdb::CMs 385928 Specdb::CMs 385929 Specdb::CMs 385930 Specdb::CMs 385931 Specdb::CMs 385932 Specdb::CMs 385933 Specdb::CMs 385934 Specdb::CMs 385935 Specdb::CMs 385936 Specdb::CMs 385937 Specdb::MsMs 11837 Specdb::MsMs 11838 Specdb::MsMs 11839 Specdb::MsMs 13040 Specdb::MsMs 13041 Specdb::MsMs 13042 Specdb::MsMs 18509 Specdb::MsMs 18510 Specdb::MsMs 18511 Specdb::MsMs 19712 Specdb::MsMs 19713 Specdb::MsMs 19714 Specdb::MsMs 2317901 Specdb::MsMs 2317902 Specdb::MsMs 2317903 Specdb::MsMs 2618282 Specdb::MsMs 2618283 Specdb::MsMs 2618284 HMDB41239 #<Reference:0x000055ce3058d348> Fruits Unknown generic