1.0 2010-04-08 22:09:27 UTC 2019-11-26 03:04:31 UTC FDB011063 7-Chloro-3,4',5,6,8-pentamethoxyflavone Constituent of a Citrus species (Dancy tangerine). 7-Chloro-3,4',5,6,8-pentamethoxyflavone is found in citrus. 7-Chloro-3,4',5,6,8-pentamethoxyflavone C20H19ClO7 406.814 406.081930669 7-chloro-3,5,6,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one 7-chloro-3,5,6,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(Cl)C(OC)=C2O1 InChI=1S/C20H19ClO7/c1-23-11-8-6-10(7-9-11)15-20(27-5)14(22)12-16(24-2)18(25-3)13(21)19(26-4)17(12)28-15/h6-9H,1-5H3 XHKNIXRPLGLVRM-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-methoxychromones 4'-O-methylated flavonoids 5-O-methylated flavonoids 6-O-methylated flavonoids Alkyl aryl ethers Anisoles Aryl chlorides Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organic oxides Organochlorides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 3-methoxychromone 3-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 6-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl chloride Aryl halide Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Vinylogous ester logp 3.25 ALOGPS logs -4.90 ALOGPS solubility 5.11e-03 g/l ALOGPS melting_point Mp 161-162° logp 2.81 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 7-chloro-3,5,6,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 406.814 ChemAxon mono_mass 406.081930669 ChemAxon smiles COC1=CC=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(Cl)C(OC)=C2O1 ChemAxon formula C20H19ClO7 ChemAxon inchi InChI=1S/C20H19ClO7/c1-23-11-8-6-10(7-9-11)15-20(27-5)14(22)12-16(24-2)18(25-3)13(21)19(26-4)17(12)28-15/h6-9H,1-5H3 ChemAxon inchikey XHKNIXRPLGLVRM-UHFFFAOYSA-N ChemAxon polar_surface_area 72.45 ChemAxon refractivity 104.35 ChemAxon polarizability 40.85 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21452 Specdb::CMs 133047 Specdb::CMs 140781 Specdb::MsMs 49176 Specdb::MsMs 49177 Specdb::MsMs 49178 Specdb::MsMs 177342 Specdb::MsMs 177343 Specdb::MsMs 177344 Specdb::MsMs 2313644 Specdb::MsMs 2313645 Specdb::MsMs 2313646 Specdb::MsMs 2652473 Specdb::MsMs 2652474 Specdb::MsMs 2652475 HMDB33069 #<Reference:0x000055ce31e5a858> Citrus Unknown generic