1.02010-04-08 22:12:52 UTC2019-11-26 03:14:17 UTCFDB017144ent-Epicatechin-(4alpha->8)-catechinIsolated from the pith of Metroxylon sagu (sago palm). ent-Epicatechin-(4alpha->8)-catechin is found in sago palm.ent-Epicatechin-(4alpha->8)-catechinent-Epicatechin(4a->8)catechinC30H26O12578.5202578.1424262962-(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-triolproanthocyanidin B1121842-80-6OC1CC2=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)=C1InChI=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,9H2XFZJEEAOWLFHDH-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 polyflavonoidsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsBiflavonoids and polyflavonoidsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersB-type proanthocyanidinsBenzene and substituted derivativesCatechinsCatecholsHydrocarbon derivativesOxacyclic compoundsPolyolsSecondary alcohols1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid3-hydroxyflavonoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAlcoholAlkyl aryl etherAromatic heteropolycyclic compoundB-type proanthocyanidinBenzenoidBenzopyranBi- and polyflavonoid skeletonCatechinCatecholChromaneEtherFlavanFlavan-3-olHydrocarbon derivativeHydroxyflavonoidMonocyclic benzene moietyOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPolyolProanthocyanidinSecondary alcohola small moleculelogp2.29logs-3.62solubility1.38e-01 g/llogp3.12pka_strongest_acidic8.69pka_strongest_basic-5.2iupac2-(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-triolaverage_mass578.5202mono_mass578.142426296smilesOC1CC2=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)=C1formulaC30H26O12inchiInChI=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,9H2inchikeyXFZJEEAOWLFHDH-UHFFFAOYSA-Npolar_surface_area220.76refractivity146.51polarizability56.91rotatable_bond_count3acceptor_count12donor_count10physiological_charge0formal_charge0Specdb::CMs13501Specdb::CMs45615Specdb::CMs282489Specdb::CMs383645Specdb::CMs383646Specdb::CMs383647Specdb::CMs383648Specdb::CMs383649Specdb::CMs383650Specdb::CMs383651Specdb::CMs383652Specdb::CMs383653Specdb::CMs383654Specdb::CMs383655Specdb::CMs383656Specdb::CMs383657Specdb::CMs383658Specdb::CMs383659Specdb::CMs383660Specdb::CMs383661Specdb::CMs383662Specdb::CMs383663Specdb::CMs383664Specdb::CMs383665Specdb::CMs383666Specdb::MsMs6770Specdb::MsMs6771Specdb::MsMs6772Specdb::MsMs7313Specdb::MsMs7314Specdb::MsMs7315Specdb::MsMs10337Specdb::MsMs10338Specdb::MsMs10339Specdb::MsMs10469Specdb::MsMs10470Specdb::MsMs10471Specdb::MsMs11213Specdb::MsMs11214Specdb::MsMs11215Specdb::MsMs11666Specdb::MsMs11667Specdb::MsMs11668Specdb::MsMs13442Specdb::MsMs13443Specdb::MsMs13444Specdb::MsMs13985Specdb::MsMs13986Specdb::MsMs13987Specdb::MsMs17009HMDB37968#<Reference:0x0000555673fe5de8>Sago palmType 1specificMetroxylon sagu93297