1.02010-04-08 22:04:57 UTC2019-11-26 02:56:27 UTCFDB001413(+/-)-alpha-ThujeneXi-3-thujene, also known as alpha-thujen or 5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Xi-3-thujene can be found in herbs and spices, which makes xi-3-thujene a potential biomarker for the consumption of this food product.α-thuieneα-thujene2-Methyl-5-(1-methylethyl)-bicyclo(3.1.0)hex-2-ene2-methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene3-Thujene5-Isopropyl-2-methylbicyclo(3.1.0)hex-2-eneAlpha-thuieneAlpha-thujenAlpha-thujeneBicyclo(3.1.0)hex-2-ene, 2-methyl-5-(1-methylethyl)-OriganeneThujieneC10H16136.234136.1252005122-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-eneα-thujene3917-48-4CC(C)C12CC1C(C)=CC2InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3KQAZVFVOEIRWHN-UHFFFAOYSA-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 compoundsBranched unsaturated hydrocarbonsCyclic olefinsPolycyclic hydrocarbonsUnsaturated aliphatic hydrocarbonsAliphatic homopolycyclic compoundBicyclic monoterpenoidBranched unsaturated hydrocarbonCyclic olefinHydrocarbonOlefinPolycyclic hydrocarbonThujane monoterpenoidUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbona monoterpenoidthujenelogp4.07logs-2.92solubility1.63e-01 g/llogp2.8iupac2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-eneaverage_mass136.234mono_mass136.125200512smilesCC(C)C12CC1C(C)=CC2formulaC10H16inchiInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3inchikeyKQAZVFVOEIRWHN-UHFFFAOYSA-Npolar_surface_area0refractivity44.72polarizability17.36rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::EiMs1818Specdb::CMs24332Specdb::CMs131945Specdb::CMs139679Specdb::MsMs12635Specdb::MsMs12636Specdb::MsMs12637Specdb::MsMs19307Specdb::MsMs19308Specdb::MsMs19309Specdb::MsMs2332043Specdb::MsMs2332044Specdb::MsMs2332045Specdb::MsMs2630477Specdb::MsMs2630478Specdb::MsMs263047950031AllspiceType 1specificPimenta dioica3752722.02.02.0mg/100 gAniseType 1specificPimpinella anisum271192CabbageType 1specificBrassica oleracea var. capitata3716CarawayType 1specificCarum carvi48032CardamomType 1specificElettaria cardamomum105181218.85218.85218.85mg/100 gCarrotType 1specificDaucus carota ssp. sativus792001.21.21.2mg/100 gCelery stalksType 1specificApium graveolens var. dulce117781Ceylon cinnamonType 1specificCinnamomum verum128608ClovesType 1specificSyzygium aromaticum219868Common oreganoType 1specificOriganum vulgare393521.91.91.9mg/100 gCommon sageType 1specificSalvia officinalis3886819.319.319.3mg/100 gCommon thymeType 1specificThymus vulgaris49992CorianderType 1specificCoriandrum sativum4047CornmintType 1specificMentha arvensis292239CuminType 1specificCuminum cyminum524622.42.42.4mg/100 gDillType 1specificAnethum graveolens4092213.3513.3513.35mg/100 gFennelType 1specificFoeniculum vulgare48038Green bell pepperType 1specificCapsicum annuum4072HyssopType 1specificHyssopus officinalis393246.0056.0056.005mg/100 gLemonType 1specificCitrus limon27082.82.82.8mg/100 gLimeType 1specificCitrus aurantiifolia1590334.04.04.0mg/100 gMandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata855715.25.25.2mg/100 gNutmegType 1specificMyristica fragrans51089Orange bell pepperType 1specificCapsicum annuum4072ParsleyType 1specificPetroselinum crispum404312.35524.70.01mg/100 gParsnipType 1specificPastinaca sativa4041PepperType 1specificCapsicum annuum4072Pepper (Spice)Type 1specificPiper nigrum13216Pot marjoramType 1specificOriganum onites4524169.517.41.6mg/100 gPummeloType 1specificCitrus maxima37334Red bell pepperType 1specificCapsicum annuum4072RosemaryType 1specificRosmarinus officinalis3936714.4523.85.1mg/100 gSaffronType 1specificCrocus sativus82528SpearmintType 1specificMentha spicata29719Sweet bayType 1specificLaurus nobilis8522354.054.054.0mg/100 gSweet marjoramType 1specificOriganum majorana2688845.055.055.05mg/100 gSweet orangeType 1specificCitrus sinensis2711White cabbageType 1specificBrassica oleracea L. var. capitata L. f. alba DC.Wild carrotType 1specificDaucus carota40391.21.21.2mg/100 gWinter savoryType 1specificSatureja montana4998815.2515.2515.25mg/100 gYellow bell pepperType 1specificCapsicum annuum4072greenherbwoodwoody