1.0 2010-04-08 22:05:00 UTC 2025-11-18 22:31:58 UTC FDB001545 5,7-Dihydroxy-3,6-dimethoxyflavone 5,7-dihydroxy-3,6-dimethoxyflavone 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, 5,7-dihydroxy-3,6-dimethoxyflavone is considered to be a flavonoid lipid molecule. 5,7-dihydroxy-3,6-dimethoxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5,7-dihydroxy-3,6-dimethoxyflavone can be found in mandarin orange (clementine, tangerine), which makes 5,7-dihydroxy-3,6-dimethoxyflavone a potential biomarker for the consumption of this food product. 3-O-Methylalnusin 5,7-Dihydroxy-3,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one Alnusin 3-methyl ether C17H14O6 314.2895 314.07903818 5,7-dihydroxy-3,6-dimethoxy-2-phenyl-4H-chromen-4-one 3-O-methylalnusin 59917-40-7 COC1=C(O)C=C2OC(=C(OC)C(=O)C2=C1O)C1=CC=CC=C1 InChI=1S/C17H14O6/c1-21-16-10(18)8-11-12(13(16)19)14(20)17(22-2)15(23-11)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3 RVOWLPGDGHUGHV-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 1-hydroxy-4-unsubstituted benzenoids 3-O-methylated flavonoids 3-methoxychromones 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-methoxychromone 3-methoxyflavonoid-skeleton 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 7-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 3.28 ALOGPS logs -3.69 ALOGPS solubility 6.37e-02 g/l ALOGPS logp 2.72 ChemAxon pka_strongest_acidic 6.97 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 5,7-dihydroxy-3,6-dimethoxy-2-phenyl-4H-chromen-4-one ChemAxon average_mass 314.2895 ChemAxon mono_mass 314.07903818 ChemAxon smiles COC1=C(O)C=C2OC(=C(OC)C(=O)C2=C1O)C1=CC=CC=C1 ChemAxon formula C17H14O6 ChemAxon inchi InChI=1S/C17H14O6/c1-21-16-10(18)8-11-12(13(16)19)14(20)17(22-2)15(23-11)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3 ChemAxon inchikey RVOWLPGDGHUGHV-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 84.11 ChemAxon polarizability 31.54 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 93165 Specdb::MsMs 93166 Specdb::MsMs 93167 Specdb::MsMs 156894 Specdb::MsMs 156895 Specdb::MsMs 156896 Specdb::MsMs 3597720 Specdb::MsMs 3597721 Specdb::MsMs 3597722 Specdb::MsMs 3597723 Specdb::MsMs 3597724 Specdb::MsMs 3597725 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571