1.0 2010-04-08 22:15:05 UTC 2018-05-29 01:47:00 UTC FDB020527 4',5,7-Trimethylisoscutellarein Constituent of Citrus species [CCD] 4',5,7-Trimethylisoscutellarein 8-Hydroxy-4',5,7-trimethoxyflavone C18H16O6 328.316 328.094688244 8-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one 8-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one 21919-71-1 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(OC)C=C2OC InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(22-2)9-15(23-3)17(20)18(16)24-13/h4-9,20H,1-3H3 AGCLYKVLFZSTJI-UHFFFAOYSA-N belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 7-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 4'-O-methylated flavonoids 5-O-methylated flavonoids 8-hydroxyflavonoids Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 4p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Vinylogous ester logp 3.35 ALOGPS logs -4.15 ALOGPS solubility 2.31e-02 g/l ALOGPS melting_point Mp 235° logp 2.19 ChemAxon pka_strongest_acidic 9.04 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 8-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 328.316 ChemAxon mono_mass 328.094688244 ChemAxon smiles COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(O)=C(OC)C=C2OC ChemAxon formula C18H16O6 ChemAxon inchi InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(22-2)9-15(23-3)17(20)18(16)24-13/h4-9,20H,1-3H3 ChemAxon inchikey AGCLYKVLFZSTJI-UHFFFAOYSA-N ChemAxon polar_surface_area 74.22 ChemAxon refractivity 88.34 ChemAxon polarizability 33.83 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15407 Specdb::CMs 46925 Specdb::CMs 137351 Specdb::CMs 145085 Specdb::MsMs 300145 Specdb::MsMs 300146 Specdb::MsMs 300147 Specdb::MsMs 342346 Specdb::MsMs 342347 Specdb::MsMs 342348 Specdb::MsMs 2764770 Specdb::MsMs 2764771 Specdb::MsMs 2943682 Specdb::MsMs 2943683 Specdb::MsMs 2943684 HMDB40719 #<Reference:0x000055ce325d11b8>