1.0 2010-04-08 22:11:54 UTC 2019-11-26 03:11:47 UTC FDB015537 5,7-Dimethylchrysin Constituent of Leptospermum scoparium (red tea). 5,7-Dimethylchrysin is found in tea. 5,7-Dimethoxy-2-phenyl-4H-1-benzopyran-4-one 5,7-Dimethoxy-flavone 5,7-Dimethoxyflavone 5,7-Dimethylchrysin Chrysin 5,7-dimethyl ether Chrysin dimethyl ether Chrysin dimethylether Chrysin dme Dimethylchrysin C17H14O4 282.2907 282.089208936 5,7-dimethoxy-2-phenyl-4H-chromen-4-one 5,7-dimethoxyflavone 21392-57-4 COC1=CC(OC)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1 InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3 JRFZSUMZAUHNSL-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 5-O-methylated flavonoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 5-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous ester Flavones and Flavonols Flavones and Flavonols dimethoxyflavone flavones logp 3.29 ALOGPS logs -4.24 ALOGPS solubility 1.63e-02 g/l ALOGPS melting_point Mp 154° (149-150°) logp 2.65 ChemAxon pka_strongest_acidic 15.36 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 5,7-dimethoxy-2-phenyl-4H-chromen-4-one ChemAxon average_mass 282.2907 ChemAxon mono_mass 282.089208936 ChemAxon smiles COC1=CC(OC)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1 ChemAxon formula C17H14O4 ChemAxon inchi InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3 ChemAxon inchikey JRFZSUMZAUHNSL-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 79.9 ChemAxon polarizability 29.86 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5840 Specdb::CMs 135732 Specdb::CMs 143466 Specdb::MsMs 101337 Specdb::MsMs 101338 Specdb::MsMs 101339 Specdb::MsMs 166950 Specdb::MsMs 166951 Specdb::MsMs 166952 Specdb::MsMs 374607 Specdb::MsMs 439935 Specdb::MsMs 450178 Specdb::MsMs 450179 Specdb::MsMs 450180 Specdb::MsMs 450181 Specdb::MsMs 450182 Specdb::MsMs 450183 Specdb::MsMs 450184 Specdb::MsMs 450185 Specdb::MsMs 450186 Specdb::MsMs 450187 Specdb::MsMs 450188 Specdb::MsMs 451230 Specdb::MsMs 2227229 Specdb::MsMs 2227460 Specdb::MsMs 2229834 Specdb::MsMs 2806026 Specdb::MsMs 2806027 HMDB36620 #<Reference:0x000055ce304818f0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442