1.02010-04-08 22:13:37 UTC2019-11-26 03:15:59 UTCFDB0182953,8''-BiapigeninIsolated from Fagopyrum esculentum (buckwheat). 3,8''-Biapigenin is found in cereals and cereal products.1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate1,3-Benzodioxole-5-propanol, alpha-methyl-, acetate3-(1,3-Benzodioxol-5-yl)-1-methylpropyl acetate3,8''-Biapigenin4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,8'-bi-4H-1-benzopyran]-4,4'-dione, 9CIalpha-Methyl-1,3-benzodioxole-5-propanol, acetateC30H18O10538.4579538.0899967968-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one101140-06-1OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(=C(O)C=C2O)C1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36HIQAMTZLKUHMPPE-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsBenzene and substituted derivativesChromonesFlavonesHeteroaromatic compoundsHydrocarbon derivativesHydroxyisoflavonoidsIsoflavonesOrganic oxidesOrganooxygen compoundsOxacyclic compoundsPyranoisoflavonoidsPyranones and derivativesVinylogous acids1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAromatic heteropolycyclic compoundBenzenoidBenzopyranBi- and polyflavonoid skeletonChromoneFlavoneHeteroaromatic compoundHydrocarbon derivativeHydroxyflavonoidHydroxyisoflavonoidIsoflavoneIsoflavonoidIsoflavonoid skeletonMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPyranPyranoisoflavonoidPyranoneVinylogous acidlogp4.43logs-4.82solubility8.10e-03 g/lmelting_pointMp 259-261°logp5.11pka_strongest_acidic5.77pka_strongest_basic-5.2iupac8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneaverage_mass538.4579mono_mass538.089996796smilesOC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(=C(O)C=C2O)C1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C=C1formulaC30H18O10inchiInChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,31-36HinchikeyIQAMTZLKUHMPPE-UHFFFAOYSA-Npolar_surface_area173.98refractivity144.22polarizability52.22rotatable_bond_count2acceptor_count10donor_count6physiological_charge-2formal_charge0Specdb::CMs24637Specdb::CMs46105Specdb::CMs259129Specdb::CMs259130Specdb::CMs259131Specdb::CMs259132Specdb::CMs259133Specdb::CMs259134Specdb::CMs259135Specdb::CMs259136Specdb::CMs259137Specdb::CMs259138Specdb::CMs259139Specdb::CMs259140Specdb::CMs259141Specdb::CMs259142Specdb::CMs259143Specdb::CMs259144Specdb::CMs259145Specdb::CMs259146Specdb::CMs259147Specdb::CMs259148Specdb::CMs259149Specdb::CMs259150Specdb::CMs259151Specdb::MsMs440508Specdb::MsMs2246487Specdb::MsMs2247780Specdb::MsMs2251917Specdb::MsMs374595Specdb::MsMs451216Specdb::MsMs452123Specdb::MsMs2248481Specdb::MsMs2249917Specdb::MsMs2250441Specdb::MsMs158553Specdb::MsMs158554Specdb::MsMs158555Specdb::MsMs2577600Specdb::MsMs2577601Specdb::MsMs2577602Specdb::MsMs94521Specdb::MsMs94522Specdb::MsMs94523Specdb::MsMs2384993Specdb::MsMs2384994Specdb::MsMs2384995HMDB38856#<Reference:0x0000555674de2a40>Breakfast cerealType 2specificCereals and cereal productsUnknowngeneric