1.02010-04-08 22:11:55 UTC2019-11-26 03:11:49 UTCFDB015552SinensetinFound in orange peel and other plant sources2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one3',4',5,6,7-Pentamethoxyflavone5,6,7,3',4'-PentamethoxyflavonePedalitin permethyl etherSinensetinC20H20O7372.3686372.1209029942-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-onesinensetin2306-27-6COC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3LKMNXYDUQXAUCZ-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 flavonoidsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsO-methylated flavonoidsAromatic heteropolycyclic compounds3'-O-methylated flavonoids4'-O-methylated flavonoids5-O-methylated flavonoids6-O-methylated flavonoidsAlkyl aryl ethersAnisolesChromonesDimethoxybenzenesFlavonesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsPhenoxy compoundsPyranones and derivativesVinylogous esters1-benzopyran3p-methoxyflavonoid-skeleton4p-methoxyflavonoid-skeleton5-methoxyflavonoid-skeleton6-methoxyflavonoid-skeleton7-methoxyflavonoid-skeletonAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundBenzenoidBenzopyranChromoneDimethoxybenzeneEtherFlavoneHeteroaromatic compoundHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyO-dimethoxybenzeneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenol etherPhenoxy compoundPyranPyranoneVinylogous esterFlavones and FlavonolsFlavones and Flavonolsflavonespentamethoxyflavonelogp2.98logs-4.64solubility8.48e-03 g/lmelting_pointMp 179° (172-173°)logp2.18pka_strongest_acidic15.28pka_strongest_basic-4.2iupac2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-oneaverage_mass372.3686mono_mass372.120902994smilesCOC1=C(OC)C=C(C=C1)C1=CC(=O)C2=C(OC)C(OC)=C(OC)C=C2O1formulaC20H20O7inchiInChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3inchikeyLKMNXYDUQXAUCZ-UHFFFAOYSA-Npolar_surface_area72.45refractivity99.29polarizability38.96rotatable_bond_count6acceptor_count7donor_count0physiological_charge0formal_charge0Specdb::CMs19028Specdb::CMs132899Specdb::CMs140633Specdb::MsMs60702Specdb::MsMs60703Specdb::MsMs60704Specdb::MsMs117075Specdb::MsMs117076Specdb::MsMs117077Specdb::MsMs439896Specdb::MsMs450136Specdb::MsMs450137Specdb::MsMs2738881Specdb::MsMs2738882Specdb::MsMs2738883Specdb::MsMs2969947Specdb::MsMs2969948HMDB36633#<Reference:0x0000555675eb0048>CitrusUnknowngenericGrapefruitType 1specificCitrus X paradisi376560.00.00.0mg/100 gMandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata855710.00.00.0mg/100 gRosemaryType 1specificRosmarinus officinalis39367Sweet orangeType 1specificCitrus sinensis27110.216550.3579999920.065mg/100 gbitterfungicide940A substance used to destroy fungal pests.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.