1.0 2010-04-08 22:13:01 UTC 2019-11-26 03:14:39 UTC FDB017322 5'-Methoxybilobetin Isolated from Ginkgo biloba (ginkgo). 5'-Methoxybilobetin is found in ginkgo nuts and fats and oils. 5'-Methoxybilobetin C32H22O11 582.5105 582.116211546 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 77053-35-1 COC1=CC(=CC(=C1OC)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C32H22O11/c1-40-27-8-15(25-12-22(38)29-19(35)9-17(34)10-26(29)42-25)7-18(31(27)41-2)28-20(36)11-21(37)30-23(39)13-24(43-32(28)30)14-3-5-16(33)6-4-14/h3-13,33-37H,1-2H3 RQNXAFVREOYDNA-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 3'-O-methylated flavonoids 4'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Bi- and polyflavonoid skeleton Chromone Dimethoxybenzene Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Pyran Pyranone Vinylogous acid logp 4.74 ALOGPS logs -5.03 ALOGPS solubility 5.49e-03 g/l ALOGPS melting_point Mp 251° logp 5.08 ChemAxon pka_strongest_acidic 6.1 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 582.5105 ChemAxon mono_mass 582.116211546 ChemAxon smiles COC1=CC(=CC(=C1OC)C1=C2OC(=CC(=O)C2=C(O)C=C1O)C1=CC=C(O)C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C32H22O11 ChemAxon inchi InChI=1S/C32H22O11/c1-40-27-8-15(25-12-22(38)29-19(35)9-17(34)10-26(29)42-25)7-18(31(27)41-2)28-20(36)11-21(37)30-23(39)13-24(43-32(28)30)14-3-5-16(33)6-4-14/h3-13,33-37H,1-2H3 ChemAxon inchikey RQNXAFVREOYDNA-UHFFFAOYSA-N ChemAxon polar_surface_area 172.21 ChemAxon refractivity 155.85 ChemAxon polarizability 58.55 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24961 Specdb::CMs 45677 Specdb::CMs 282577 Specdb::CMs 401701 Specdb::CMs 401702 Specdb::CMs 401703 Specdb::CMs 401704 Specdb::CMs 401705 Specdb::CMs 401706 Specdb::CMs 401707 Specdb::CMs 401708 Specdb::CMs 401709 Specdb::CMs 401710 Specdb::CMs 401711 Specdb::CMs 401712 Specdb::CMs 401713 Specdb::CMs 401714 Specdb::CMs 401715 Specdb::CMs 401716 Specdb::CMs 401717 Specdb::CMs 401718 Specdb::CMs 401719 Specdb::CMs 401720 Specdb::CMs 401721 Specdb::CMs 401722 Specdb::MsMs 59220 Specdb::MsMs 59221 Specdb::MsMs 59222 Specdb::MsMs 115308 Specdb::MsMs 115309 Specdb::MsMs 115310 Specdb::MsMs 2751781 Specdb::MsMs 2751782 Specdb::MsMs 2751783 Specdb::MsMs 2930664 Specdb::MsMs 2930665 Specdb::MsMs 2930666 HMDB38101 #<Reference:0x000055ce31e18ef8> Fats and oils Unknown generic Ginkgo nuts Type 1 specific Ginkgo biloba 3311