1.0 2010-04-08 22:11:04 UTC 2019-11-26 03:09:30 UTC FDB014092 3,3',4',5,6,8-Hexamethoxyflavone Constituent of Citrus reticulata (mandarin). 3,3',4',5,6,8-Hexamethoxyflavone is found in citrus. 3,3',4',5,6,8-Hexamethoxyflavone C21H22O8 402.3946 402.13146768 2-(3,4-dimethoxyphenyl)-3,5,6,8-tetramethoxy-4H-chromen-4-one 2-(3,4-dimethoxyphenyl)-3,5,6,8-tetramethoxychromen-4-one 218945-14-3 COC1=CC(OC)=C2OC(=C(OC)C(=O)C2=C1OC)C1=CC(OC)=C(OC)C=C1 InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-19(27-5)14(25-3)10-15(26-4)20(16)29-18/h7-10H,1-6H3 FONKMEBARQKMEH-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 3-O-methylated flavonoids 3-methoxychromones 4'-O-methylated flavonoids 5-O-methylated flavonoids 6-O-methylated flavonoids Alkyl aryl ethers Anisoles Dimethoxybenzenes Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 3-methoxychromone 3-methoxyflavonoid-skeleton 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 6-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 Vinylogous ester logp 2.49 ALOGPS logs -4.64 ALOGPS solubility 9.25e-03 g/l ALOGPS logp 2.05 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2-(3,4-dimethoxyphenyl)-3,5,6,8-tetramethoxy-4H-chromen-4-one ChemAxon average_mass 402.3946 ChemAxon mono_mass 402.13146768 ChemAxon smiles COC1=CC(OC)=C2OC(=C(OC)C(=O)C2=C1OC)C1=CC(OC)=C(OC)C=C1 ChemAxon formula C21H22O8 ChemAxon inchi InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-19(27-5)14(25-3)10-15(26-4)20(16)29-18/h7-10H,1-6H3 ChemAxon inchikey FONKMEBARQKMEH-UHFFFAOYSA-N ChemAxon polar_surface_area 81.68 ChemAxon refractivity 106.01 ChemAxon polarizability 41.37 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69744 Specdb::MsMs 69745 Specdb::MsMs 69746 Specdb::MsMs 128082 Specdb::MsMs 128083 Specdb::MsMs 128084 Specdb::MsMs 2419359 Specdb::MsMs 2419360 Specdb::MsMs 2419361 Specdb::MsMs 2542874 Specdb::MsMs 2542875 Specdb::MsMs 2542876 Specdb::CMs 12552 Specdb::CMs 137160 Specdb::CMs 144894 HMDB35415 #<Reference:0x000055ce32c8ac20> Citrus Unknown generic