1.0 2010-04-08 22:12:52 UTC 2019-11-26 03:14:17 UTC FDB017144 ent-Epicatechin-(4alpha->8)-catechin Isolated from the pith of Metroxylon sagu (sago palm). ent-Epicatechin-(4alpha->8)-catechin is found in sago palm. ent-Epicatechin-(4alpha->8)-catechin ent-Epicatechin(4a->8)catechin C30H26O12 578.5202 578.142426296 2-(3,4-dihydroxyphenyl)-8-[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 proanthocyanidin B1 121842-80-6 OC1CC2=C(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2OC1C1=CC=C(O)C(O)=C1 InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2 XFZJEEAOWLFHDH-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 a small molecule logp 2.29 ALOGPS logs -3.62 ALOGPS solubility 1.38e-01 g/l ALOGPS logp 3.12 ChemAxon pka_strongest_acidic 8.69 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-8-[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(O)C=C(O)C(C3C(O)C(OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2OC1C1=CC=C(O)C(O)=C1 ChemAxon formula C30H26O12 ChemAxon inchi InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2 ChemAxon inchikey XFZJEEAOWLFHDH-UHFFFAOYSA-N ChemAxon polar_surface_area 220.76 ChemAxon refractivity 146.51 ChemAxon polarizability 56.91 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 12 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13501 Specdb::CMs 45615 Specdb::CMs 282489 Specdb::CMs 383645 Specdb::CMs 383646 Specdb::CMs 383647 Specdb::CMs 383648 Specdb::CMs 383649 Specdb::CMs 383650 Specdb::CMs 383651 Specdb::CMs 383652 Specdb::CMs 383653 Specdb::CMs 383654 Specdb::CMs 383655 Specdb::CMs 383656 Specdb::CMs 383657 Specdb::CMs 383658 Specdb::CMs 383659 Specdb::CMs 383660 Specdb::CMs 383661 Specdb::CMs 383662 Specdb::CMs 383663 Specdb::CMs 383664 Specdb::CMs 383665 Specdb::CMs 383666 Specdb::MsMs 6770 Specdb::MsMs 6771 Specdb::MsMs 6772 Specdb::MsMs 7313 Specdb::MsMs 7314 Specdb::MsMs 7315 Specdb::MsMs 10337 Specdb::MsMs 10338 Specdb::MsMs 10339 Specdb::MsMs 10469 Specdb::MsMs 10470 Specdb::MsMs 10471 Specdb::MsMs 11213 Specdb::MsMs 11214 Specdb::MsMs 11215 Specdb::MsMs 11666 Specdb::MsMs 11667 Specdb::MsMs 11668 Specdb::MsMs 13442 Specdb::MsMs 13443 Specdb::MsMs 13444 Specdb::MsMs 13985 Specdb::MsMs 13986 Specdb::MsMs 13987 Specdb::MsMs 17009 HMDB37968 #<Reference:0x000055ce334429b8> Sago palm Type 1 specific Metroxylon sagu 93297