1.0 2010-04-08 22:13:19 UTC 2019-11-26 03:15:16 UTC FDB017812 5,7-Dimethoxy-6-methylflavanone Constituent of Leptospermum scoparium (red tea). 5,7-Dimethoxy-6-methylflavanone is found in tea. 5,7-Dimethoxy-6-C-methylflavanone 5,7-Dimethoxy-6-methylflavanone C18H18O4 298.3331 298.120509064 5,7-dimethoxy-6-methyl-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one 5,7-dimethoxy-6-methyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one 128508-16-7 COC1=CC2=C(C(=O)CC(O2)C2=CC=CC=C2)C(OC)=C1C InChI=1S/C18H18O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3 XYMPWWTYELQXGU-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 Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hydrocarbon derivatives Organic oxides Oxacyclic compounds 1-benzopyran 5-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Flavanones logp 3.24 ALOGPS logs -4.40 ALOGPS solubility 1.18e-02 g/l ALOGPS melting_point Mp 133-135° logp 3.29 ChemAxon pka_strongest_acidic 14.15 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 5,7-dimethoxy-6-methyl-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 298.3331 ChemAxon mono_mass 298.120509064 ChemAxon smiles COC1=CC2=C(C(=O)CC(O2)C2=CC=CC=C2)C(OC)=C1C ChemAxon formula C18H18O4 ChemAxon inchi InChI=1S/C18H18O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3 ChemAxon inchikey XYMPWWTYELQXGU-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 83.31 ChemAxon polarizability 32.39 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14245 Specdb::CMs 172318 Specdb::MsMs 61629 Specdb::MsMs 61630 Specdb::MsMs 61631 Specdb::MsMs 118194 Specdb::MsMs 118195 Specdb::MsMs 118196 Specdb::MsMs 2482942 Specdb::MsMs 2482943 Specdb::MsMs 2482944 HMDB38453 #<Reference:0x000055ce330982b8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442