1.0 2010-04-08 22:05:24 UTC 2025-11-18 22:37:59 UTC FDB002513 7-Hydroxy-3,3',4',5,6-pentamethoxyflavone 7-hydroxy-3,3',4',5,6-pentamethoxyflavone is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, 7-hydroxy-3,3',4',5,6-pentamethoxyflavone is considered to be a flavonoid lipid molecule. 7-hydroxy-3,3',4',5,6-pentamethoxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 7-hydroxy-3,3',4',5,6-pentamethoxyflavone can be found in common bean, green bean, sweet orange, and yellow wax bean, which makes 7-hydroxy-3,3',4',5,6-pentamethoxyflavone a potential biomarker for the consumption of these food products. 2-(3,4-Dimethoxyphenyl)-7-hydroxy-3,5,6-trimethoxy-4H-1-benzopyran-4-one 7-Hydroxy-3,3',4',5,6-pentamethoxyflavone 7-Hydroxy-3,5,6,3',4'-pentamethoxyflavone Quercetagetin 3,5,6,3',4'-pentamethyl ether C20H20O8 388.368 388.115817616 2-(3,4-dimethoxyphenyl)-7-hydroxy-3,5,6-trimethoxy-4H-chromen-4-one 2-(3,4-dimethoxyphenyl)-7-hydroxy-3,5,6-trimethoxychromen-4-one 57393-68-7 COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(O1)C=C(O)C(OC)=C2OC InChI=1S/C20H20O8/c1-23-12-7-6-10(8-13(12)24-2)17-20(27-5)16(22)15-14(28-17)9-11(21)18(25-3)19(15)26-4/h6-9,21H,1-5H3 DFMQEEUDLFLPFL-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. 6-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3'-O-methylated flavonoids 3-O-methylated flavonoids 3-methoxychromones 4'-O-methylated flavonoids 5-O-methylated flavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Dimethoxybenzenes Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3-methoxychromone 3-methoxyflavonoid-skeleton 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 6-methoxyflavonoid-skeleton 7-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran 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 ether Phenoxy compound Pyran Pyranone Vinylogous ester Flavones and Flavonols logp 2.92 ALOGPS logs -4.21 ALOGPS solubility 2.39e-02 g/l ALOGPS melting_point Mp 132-135° logp 1.9 ChemAxon pka_strongest_acidic 6.9 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-(3,4-dimethoxyphenyl)-7-hydroxy-3,5,6-trimethoxy-4H-chromen-4-one ChemAxon average_mass 388.368 ChemAxon mono_mass 388.115817616 ChemAxon smiles COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(O1)C=C(O)C(OC)=C2OC ChemAxon formula C20H20O8 ChemAxon inchi InChI=1S/C20H20O8/c1-23-12-7-6-10(8-13(12)24-2)17-20(27-5)16(22)15-14(28-17)9-11(21)18(25-3)19(15)26-4/h6-9,21H,1-5H3 ChemAxon inchikey DFMQEEUDLFLPFL-UHFFFAOYSA-N ChemAxon polar_surface_area 92.68 ChemAxon refractivity 101.52 ChemAxon polarizability 39.64 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 49800 Specdb::MsMs 49801 Specdb::MsMs 49802 Specdb::MsMs 141057 Specdb::MsMs 141058 Specdb::MsMs 141059 Specdb::MsMs 3599092 Specdb::MsMs 3599093 Specdb::MsMs 3599094 Specdb::MsMs 3599095 Specdb::MsMs 3599096 Specdb::MsMs 3599097 Common bean Type 1 specific Phaseolus vulgaris 3885 Green bean Type 1 specific Phaseolus vulgaris 3885 Sweet orange Type 1 specific Citrus sinensis 2711 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885