1.02010-04-08 22:11:01 UTC2019-11-26 03:09:24 UTCFDB013998Perilla ketoneIsolated from the essential oil of Perilla frutescens (perilla). Perilla ketone is found in fats and oils and herbs and spices.1-(3-Furanyl)-4-methyl-1-pentanone1-(3-Furyl)-4-methyl-1-pentanone1-furan-3-yl-4-methylpentan-1-one1-Pentanone, 1-(3-furanyl)-4-methyl-1-Pentanone, 1-(3-furyl)-4-methyl-Beta-furyl isoamyl ketonePerilla ketonePurple mint plant extractPurple mint plant isolateC10H14O2166.217166.0993796921-(furan-3-yl)-4-methylpentan-1-oneperilla ketone553-84-4CC(C)CCC(=O)C1=COC=C1InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3LVHLZMUFIYAEQB-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.Aryl alkyl ketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAromatic heteromonocyclic compoundsFuransHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsAromatic heteromonocyclic compoundAryl alkyl ketoneFuranHeteroaromatic compoundHydrocarbon derivativeOrganic oxideOrganoheterocyclic compoundOxacyclelogp2.84logs-3.07solubility1.41e-01 g/llogp2.55pka_strongest_acidic16.15pka_strongest_basic-4.1iupac1-(furan-3-yl)-4-methylpentan-1-oneaverage_mass166.217mono_mass166.099379692smilesCC(C)CCC(=O)C1=COC=C1formulaC10H14O2inchiInChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3inchikeyLVHLZMUFIYAEQB-UHFFFAOYSA-Npolar_surface_area30.21refractivity47.35polarizability18.78rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr6906Specdb::MsIr6907Specdb::CMs9641Specdb::CMs153213Specdb::MsMs78441Specdb::MsMs78442Specdb::MsMs78443Specdb::MsMs138789Specdb::MsMs138790Specdb::MsMs138791Specdb::MsMs2467196Specdb::MsMs2467197Specdb::MsMs2467198Specdb::MsMs2498537Specdb::MsMs2498538Specdb::MsMs2498539HMDB35328#<Reference:0x00005556741d8f88>Fats and oilsUnknowngenericHerbs and SpicesUnknowngeneric