1.0 2010-04-08 22:07:25 UTC 2025-11-18 23:03:38 UTC FDB007053 5-Demethoxynobiletin 5-demethoxynobiletin, also known as 3'4'678-pentamethoxyflavone, is a member of the class of compounds known as 8-o-methylated flavonoids. 8-o-methylated flavonoids are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 5-demethoxynobiletin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5-demethoxynobiletin can be found in winter savory, which makes 5-demethoxynobiletin a potential biomarker for the consumption of this food product. C20H20O7 372.3686 372.120902994 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2 InChI=1S/C20H20O7/c1-22-14-7-6-11(8-16(14)23-2)15-10-13(21)12-9-17(24-3)19(25-4)20(26-5)18(12)27-15/h6-10H,1-5H3 MNQMRHVEXBTNRO-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 8-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 3'-O-methylated flavonoids 4'-O-methylated flavonoids 6-O-methylated flavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives 1-benzopyran 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 6-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Ether Flavone Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone logp 2.98 ALOGPS logs -4.64 ALOGPS solubility 8.53e-03 g/l ALOGPS logp 2.18 ChemAxon pka_strongest_acidic 15.58 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one ChemAxon average_mass 372.3686 ChemAxon mono_mass 372.120902994 ChemAxon smiles COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2 ChemAxon formula C20H20O7 ChemAxon inchi InChI=1S/C20H20O7/c1-22-14-7-6-11(8-16(14)23-2)15-10-13(21)12-9-17(24-3)19(25-4)20(26-5)18(12)27-15/h6-10H,1-5H3 ChemAxon inchikey MNQMRHVEXBTNRO-UHFFFAOYSA-N ChemAxon polar_surface_area 72.45 ChemAxon refractivity 99.29 ChemAxon polarizability 38.88 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78927 Specdb::MsMs 78928 Specdb::MsMs 78929 Specdb::MsMs 139416 Specdb::MsMs 139417 Specdb::MsMs 139418 Specdb::MsMs 3603584 Specdb::MsMs 3603585 Specdb::MsMs 3603586 Specdb::MsMs 3604724 Specdb::MsMs 3604725 Winter savory Type 1 specific Satureja montana 49988