1.0 2010-04-08 22:14:46 UTC 2019-11-26 03:18:25 UTC FDB020069 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone Constituent of fingered citron fruits (Citrus medica). 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone is found in citrus. 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3,5,6-Trihydroxy-3',4',7'-trimethoxyflavone Quercetagetin 7,3',4'-trimethyl ether Thtmof C18H16O8 360.3148 360.084517488 2-(3,4-dimethoxyphenyl)-3,5,6-trihydroxy-7-methoxy-4H-chromen-4-one 2-(3,4-dimethoxyphenyl)-3,5,6-trihydroxy-7-methoxychromen-4-one 99499-83-9 COC1=C(O)C(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OC)=C(OC)C=C1 InChI=1S/C18H16O8/c1-23-9-5-4-8(6-10(9)24-2)18-17(22)16(21)13-11(26-18)7-12(25-3)14(19)15(13)20/h4-7,19-20,22H,1-3H3 CZPFBNZMODZHIK-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Flavonols Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 3-hydroxyflavonoids 4'-O-methylated flavonoids 5-hydroxyflavonoids 6-hydroxyflavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Polyols Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavone 3-hydroxyflavonoid 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 6-hydroxyflavonoid 7-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Ether 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 Polyol Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 2.25 ALOGPS logs -3.67 ALOGPS solubility 7.70e-02 g/l ALOGPS logp 2.29 ChemAxon pka_strongest_acidic 8.3 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-(3,4-dimethoxyphenyl)-3,5,6-trihydroxy-7-methoxy-4H-chromen-4-one ChemAxon average_mass 360.3148 ChemAxon mono_mass 360.084517488 ChemAxon smiles COC1=C(O)C(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OC)=C(OC)C=C1 ChemAxon formula C18H16O8 ChemAxon inchi InChI=1S/C18H16O8/c1-23-9-5-4-8(6-10(9)24-2)18-17(22)16(21)13-11(26-18)7-12(25-3)14(19)15(13)20/h4-7,19-20,22H,1-3H3 ChemAxon inchikey CZPFBNZMODZHIK-UHFFFAOYSA-N ChemAxon polar_surface_area 114.68 ChemAxon refractivity 92.29 ChemAxon polarizability 35.67 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14082 Specdb::CMs 46744 Specdb::CMs 157865 Specdb::MsMs 12764 Specdb::MsMs 12765 Specdb::MsMs 12766 Specdb::MsMs 19436 Specdb::MsMs 19437 Specdb::MsMs 19438 Specdb::MsMs 2433280 Specdb::MsMs 2433281 Specdb::MsMs 2433282 Specdb::MsMs 2504849 Specdb::MsMs 2504850 Specdb::MsMs 2504851 HMDB40344 #<Reference:0x000055ce31723170> Citrus Unknown generic