1.0 2010-04-08 22:12:34 UTC 2018-05-29 01:27:40 UTC FDB016658 Demethoxykanugin Isolated from Rhus chinensis (Chinese gall) 2-(1,3-Benzodioxol-5-yl)-3,7-dimethoxy-4H-1-benzopyran-4-one 3,7-Dimethoxy-3',4'-methylenedioxyflavone Demethoxykanugin Desmethoxykanugin C18H14O6 326.3002 326.07903818 2-(2H-1,3-benzodioxol-5-yl)-3,7-dimethoxy-4H-chromen-4-one demethoxykanugin 1668-33-3 COC1=CC2=C(C=C1)C(=O)C(OC)=C(O2)C1=CC2=C(OCO2)C=C1 InChI=1S/C18H14O6/c1-20-11-4-5-12-14(8-11)24-17(18(21-2)16(12)19)10-3-6-13-15(7-10)23-9-22-13/h3-8H,9H2,1-2H3 UBKPBGYXBIXFFC-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 3-O-methylated flavonoids 3-methoxychromones Acetals Alkyl aryl ethers Anisoles Benzodioxoles Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran 3-methoxychromone 3-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Flavones and Flavonols logp 2.64 ALOGPS logs -4.23 ALOGPS solubility 1.91e-02 g/l ALOGPS melting_point Mp 147° logp 2.3 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-(2H-1,3-benzodioxol-5-yl)-3,7-dimethoxy-4H-chromen-4-one ChemAxon average_mass 326.3002 ChemAxon mono_mass 326.07903818 ChemAxon smiles COC1=CC2=C(C=C1)C(=O)C(OC)=C(O2)C1=CC2=C(OCO2)C=C1 ChemAxon formula C18H14O6 ChemAxon inchi InChI=1S/C18H14O6/c1-20-11-4-5-12-14(8-11)24-17(18(21-2)16(12)19)10-3-6-13-15(7-10)23-9-22-13/h3-8H,9H2,1-2H3 ChemAxon inchikey UBKPBGYXBIXFFC-UHFFFAOYSA-N ChemAxon polar_surface_area 63.22 ChemAxon refractivity 85.92 ChemAxon polarizability 33.19 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14117 Specdb::CMs 134380 Specdb::CMs 142114 Specdb::MsMs 88647 Specdb::MsMs 88648 Specdb::MsMs 88649 Specdb::MsMs 151422 Specdb::MsMs 151423 Specdb::MsMs 151424 Specdb::MsMs 2760311 Specdb::MsMs 2760312 Specdb::MsMs 2760313 Specdb::MsMs 2945832 Specdb::MsMs 2945833 Specdb::MsMs 2945834 HMDB37570 #<Reference:0x000055ce30d98a10>