1.02010-04-08 22:11:34 UTC2019-11-26 03:11:02 UTCFDB014960(+)-3-ThujoneThujone is a ketone and a monoterpene that occurs naturally in two diastereomeric forms: (-)-alpha-thujone and (+)-beta-thujone. It has a menthol odor. In addition to (-)-alpha-thujone and (+)-beta-thujone, there are their enantiomeric forms, (+)-alpha-thujone and (-)-beta-thujone. (+)-3-Thujone is found in many foods, some of which are peppermint, common sage, winter savory, and ginger.-Thujone(+)-β-Thujone(+)-3-Thujone(+)-b-Thujone(+)-beta-Thujone(+)-cis-Thujone(+)-Isothujone(+)-Thujone(1S,4S,5R)-(+)-3-Thujanone(1S,4S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one[1S-(1a,4b,5a)]-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one[1S-(1alpha,4beta,5alpha)]-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one[1S-(1α,4β,5α)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-oneβ-Thujone3-Thujanone, (1S,4S,5R)-(+)-b-Thujonebeta-ThujoneD-β-ThujoneD-b-ThujoneD-betaD-beta-ThujoneD-IsothujoneD-β-thujoneIsothujoneThujone, (+)-trans-Thujoneβ-thujoneC10H16O152.2334152.120115134(1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one(+)-β-thujone471-15-8CC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1USMNOWBWPHYOEA-XKSSXDPKSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.Bicyclic monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homopolycyclic compoundsCyclic ketonesHydrocarbon derivativesOrganic oxidesAliphatic homopolycyclic compoundBicyclic monoterpenoidCarbonyl groupCyclic ketoneHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundThujane monoterpenoidBicyclic monoterpenoidsbeta-thujonelogp1.74logs-2.54solubility4.38e-01 g/llogp2.28pka_strongest_basic-7.4iupac(1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-oneaverage_mass152.2334mono_mass152.120115134smilesCC(C)[C@@]12C[C@@H]1[C@H](C)C(=O)C2formulaC10H16OinchiInChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1inchikeyUSMNOWBWPHYOEA-XKSSXDPKSA-Npolar_surface_area17.07refractivity44.54polarizability18.02rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr7101Specdb::MsIr7102Specdb::CMs26581Specdb::CMs160906Specdb::MsMs68784Specdb::MsMs68785Specdb::MsMs68786Specdb::MsMs126897Specdb::MsMs126898Specdb::MsMs126899Specdb::MsMs2370221Specdb::MsMs2370222Specdb::MsMs2370223Specdb::MsMs2568010Specdb::MsMs2568011Specdb::MsMs2568012HMDB36113#<Reference:0x0000555674a5a940>#<Reference:0x0000555674a5a760>#<Reference:0x0000555674a5a558>#<Reference:0x0000555674a5a350>#<Reference:0x0000555674a5a170>#<Reference:0x0000555674a59f90>#<Reference:0x0000555674a59d88>#<Reference:0x0000555674a59ba8>#<Reference:0x0000555674a599c8>#<Reference:0x0000555674a597c0>#<Reference:0x0000555674a595e0>#<Reference:0x0000555674a593b0>Common sageType 1specificSalvia officinalis38868508.4508.4508.4mg/100 gGingerType 1specificZingiber officinale94328HyssopType 1specificHyssopus officinalis393242.0052.0052.005mg/100 gPeppermintType 1specificMentha X piperita34256Pot marjoramType 1specificOriganum onites4524160.00.00.0mg/100 gRosemaryType 1specificRosmarinus officinalis3936711.011.011.0mg/100 gSweet basilType 1specificOcimum basilicum39350Winter savoryType 1specificSatureja montana499883.353.353.35mg/100 gabortifacient13A chemical substance that interrupts pregnancy after implantation.anti bacterial145A substance that kills or slows the growth of bacteria.anti feedant275emmenagogue900insectifuge1041Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.