1.0 2010-04-08 22:13:37 UTC 2019-11-26 03:15:59 UTC FDB018295 3,8''-Biapigenin Isolated from Fagopyrum esculentum (buckwheat). 3,8''-Biapigenin is found in cereals and cereal products. 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate 1,3-Benzodioxole-5-propanol, alpha-methyl-, acetate 3-(1,3-Benzodioxol-5-yl)-1-methylpropyl acetate 3,8''-Biapigenin 4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone 5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,8'-bi-4H-1-benzopyran]-4,4'-dione, 9CI alpha-Methyl-1,3-benzodioxole-5-propanol, acetate C30H18O10 538.4579 538.089996796 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 101140-06-1 OC1=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=C1 InChI=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/h1-12,31-36H IQAMTZLKUHMPPE-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranoisoflavonoids Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Aromatic heteropolycyclic compound Benzenoid Benzopyran Bi- and polyflavonoid skeleton Chromone Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Hydroxyisoflavonoid Isoflavone Isoflavonoid Isoflavonoid skeleton Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranoisoflavonoid Pyranone Vinylogous acid logp 4.43 ALOGPS logs -4.82 ALOGPS solubility 8.10e-03 g/l ALOGPS melting_point Mp 259-261° logp 5.11 ChemAxon pka_strongest_acidic 5.77 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 538.4579 ChemAxon mono_mass 538.089996796 ChemAxon smiles OC1=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=C1 ChemAxon formula C30H18O10 ChemAxon inchi InChI=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/h1-12,31-36H ChemAxon inchikey IQAMTZLKUHMPPE-UHFFFAOYSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 144.22 ChemAxon polarizability 52.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24637 Specdb::CMs 46105 Specdb::CMs 259129 Specdb::CMs 259130 Specdb::CMs 259131 Specdb::CMs 259132 Specdb::CMs 259133 Specdb::CMs 259134 Specdb::CMs 259135 Specdb::CMs 259136 Specdb::CMs 259137 Specdb::CMs 259138 Specdb::CMs 259139 Specdb::CMs 259140 Specdb::CMs 259141 Specdb::CMs 259142 Specdb::CMs 259143 Specdb::CMs 259144 Specdb::CMs 259145 Specdb::CMs 259146 Specdb::CMs 259147 Specdb::CMs 259148 Specdb::CMs 259149 Specdb::CMs 259150 Specdb::CMs 259151 Specdb::MsMs 94521 Specdb::MsMs 94522 Specdb::MsMs 94523 Specdb::MsMs 158553 Specdb::MsMs 158554 Specdb::MsMs 158555 Specdb::MsMs 374595 Specdb::MsMs 440508 Specdb::MsMs 451216 Specdb::MsMs 452123 Specdb::MsMs 2246487 Specdb::MsMs 2247780 Specdb::MsMs 2248481 Specdb::MsMs 2249917 Specdb::MsMs 2250441 Specdb::MsMs 2251917 Specdb::MsMs 2384993 Specdb::MsMs 2384994 Specdb::MsMs 2384995 Specdb::MsMs 2577600 Specdb::MsMs 2577601 Specdb::MsMs 2577602 HMDB38856 #<Reference:0x000055ce307a3330> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic