1.0 2010-04-08 22:14:45 UTC 2025-11-19 02:27:44 UTC FDB020041 5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan Constituent of the roots of Muntingia calabura (Jamaica cherry). 5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan is found in fruits. 5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan C36H38O12 662.6797 662.23632668 5-[8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-5-yl]-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol 5-[8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-5-yl]-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(O)=C(OC)C=C2C1=CC(OC)=C(O)C2=C1CCC(O2)C1=CC(O)=C(OC)C(OC)=C1 InChI=1S/C36H38O12/c1-41-27-15-21(19-7-9-25(47-33(19)31(27)39)17-11-23(37)35(45-5)29(13-17)43-3)22-16-28(42-2)32(40)34-20(22)8-10-26(48-34)18-12-24(38)36(46-6)30(14-18)44-4/h11-16,25-26,37-40H,7-10H2,1-6H3 GBQSWSKEZIAPTN-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 7-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 3'-hydroxyflavonoids 4'-O-methylated flavonoids 8-hydroxyflavonoids Alkyl aryl ethers Anisoles Biphenols Dimethoxybenzenes Flavans Hydrocarbon derivatives Methoxyphenols Oxacyclic compounds Phenoxy compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Biphenol Chromane Dimethoxybenzene Ether Flavan Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-dimethoxybenzene Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound logp 4.53 ALOGPS logs -5.02 ALOGPS solubility 6.29e-03 g/l ALOGPS melting_point Mp 211° dec. logp 5.68 ChemAxon pka_strongest_acidic 8.92 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5-[8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-5-yl]-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol ChemAxon average_mass 662.6797 ChemAxon mono_mass 662.23632668 ChemAxon smiles COC1=CC(=CC(O)=C1OC)C1CCC2=C(O1)C(O)=C(OC)C=C2C1=CC(OC)=C(O)C2=C1CCC(O2)C1=CC(O)=C(OC)C(OC)=C1 ChemAxon formula C36H38O12 ChemAxon inchi InChI=1S/C36H38O12/c1-41-27-15-21(19-7-9-25(47-33(19)31(27)39)17-11-23(37)35(45-5)29(13-17)43-3)22-16-28(42-2)32(40)34-20(22)8-10-26(48-34)18-12-24(38)36(46-6)30(14-18)44-4/h11-16,25-26,37-40H,7-10H2,1-6H3 ChemAxon inchikey GBQSWSKEZIAPTN-UHFFFAOYSA-N ChemAxon polar_surface_area 154.76 ChemAxon refractivity 175.21 ChemAxon polarizability 71.25 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21112 Specdb::CMs 674825 Specdb::CMs 674826 Specdb::CMs 674827 Specdb::CMs 674828 Specdb::CMs 674829 Specdb::CMs 674830 Specdb::CMs 674831 Specdb::CMs 674832 Specdb::CMs 674833 Specdb::CMs 674834 Specdb::CMs 674835 Specdb::CMs 674836 Specdb::CMs 674837 Specdb::CMs 674838 Specdb::MsMs 312961 Specdb::MsMs 312962 Specdb::MsMs 312963 Specdb::MsMs 358342 Specdb::MsMs 358343 Specdb::MsMs 358344 Specdb::MsMs 2816296 Specdb::MsMs 2816297 Specdb::MsMs 2816298 Specdb::MsMs 2892533 Specdb::MsMs 2892534 Specdb::MsMs 2892535 HMDB40318 #<Reference:0x000055ce33504c48> Fruits Unknown generic