1.0 2010-04-08 22:05:00 UTC 2025-11-18 22:31:59 UTC FDB001548 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 5,3',4'-trihydroxy-3-methoxy-6,7-methylenedioxyflavone is a member of the class of compounds known as 3-o-methylated flavonoids. 3-o-methylated flavonoids are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. Thus, 5,3',4'-trihydroxy-3-methoxy-6,7-methylenedioxyflavone is considered to be a flavonoid lipid molecule. 5,3',4'-trihydroxy-3-methoxy-6,7-methylenedioxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5,3',4'-trihydroxy-3-methoxy-6,7-methylenedioxyflavone can be found in spinach, which makes 5,3',4'-trihydroxy-3-methoxy-6,7-methylenedioxyflavone a potential biomarker for the consumption of this food product. 5,3',4'-Trihydroxy-3-methoxy-6:7-methylenedioxyflavone C17H12O8 344.2724 344.05321736 6-(3,4-dihydroxyphenyl)-9-hydroxy-7-methoxy-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one 6-(3,4-dihydroxyphenyl)-9-hydroxy-7-methoxy-2H-[1,3]dioxolo[4,5-g]chromen-8-one 36284-99-8 COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC=C(O)C(O)=C1 InChI=1S/C17H12O8/c1-22-17-14(21)12-10(5-11-16(13(12)20)24-6-23-11)25-15(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3 BBZORTSKYSEICL-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. 3-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'-hydroxyflavonoids 3-methoxychromones 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Benzene and substituted derivatives Benzodioxoles Catechols 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'-hydroxyflavonoid 3-methoxychromone 3-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Catechol Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 2.65 ALOGPS logs -3.28 ALOGPS solubility 1.79e-01 g/l ALOGPS logp 2.2 ChemAxon pka_strongest_acidic 8.35 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 6-(3,4-dihydroxyphenyl)-9-hydroxy-7-methoxy-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one ChemAxon average_mass 344.2724 ChemAxon mono_mass 344.05321736 ChemAxon smiles COC1=C(OC2=CC3=C(OCO3)C(O)=C2C1=O)C1=CC=C(O)C(O)=C1 ChemAxon formula C17H12O8 ChemAxon inchi InChI=1S/C17H12O8/c1-22-17-14(21)12-10(5-11-16(13(12)20)24-6-23-11)25-15(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3 ChemAxon inchikey BBZORTSKYSEICL-UHFFFAOYSA-N ChemAxon polar_surface_area 114.68 ChemAxon refractivity 85.4 ChemAxon polarizability 33.02 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 56109 Specdb::MsMs 56110 Specdb::MsMs 56111 Specdb::MsMs 111456 Specdb::MsMs 111457 Specdb::MsMs 111458 Specdb::MsMs 3597726 Specdb::MsMs 3597727 Specdb::MsMs 3597728 Specdb::MsMs 3597729 Specdb::MsMs 3597730 Specdb::MsMs 3597731 Spinach Type 1 specific Spinacia oleracea 3562