1.02010-04-08 22:11:35 UTC2019-11-26 03:11:06 UTCFDB015006S-beta-BisaboleneConstituent of the essential oils of bergamot, lemon and wild carrot. S-beta-Bisabolene is found in many foods, some of which are roman camomile, anise, wild carrot, and common oregano.(-)-β-bisabolene(S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexeneL-β-bisaboleneS-2,7(14),10-BisabolatrieneC15H24204.357204.1878007731-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-eneβ-bisabolene495-61-4CC(C)=CCCC(=C)C1CCC(C)=CC1InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3XZRVRYFILCSYSP-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homomonocyclic compoundsBranched unsaturated hydrocarbonsCycloalkenesUnsaturated aliphatic hydrocarbonsAliphatic homomonocyclic compoundBisabolane sesquiterpenoidBranched unsaturated hydrocarbonCyclic olefinCycloalkeneHydrocarbonOlefinSesquiterpenoidUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbona sesquiterpenoidbisabolenelogp6.01logs-4.39solubility8.41e-03 g/llogp4.88iupac1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-eneaverage_mass204.357mono_mass204.187800773smilesCC(C)=CCCC(=C)C1CCC(C)=CC1formulaC15H24inchiInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3inchikeyXZRVRYFILCSYSP-UHFFFAOYSA-Npolar_surface_area0refractivity70.28polarizability26.99rotatable_bond_count4acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs5622Specdb::CMs27225Specdb::CMs101776Specdb::CMs153954Specdb::MsMs91368Specdb::MsMs91369Specdb::MsMs91370Specdb::MsMs154743Specdb::MsMs154744Specdb::MsMs154745Specdb::MsMs3037307Specdb::MsMs3037308Specdb::MsMs3037309Specdb::MsMs3107018Specdb::MsMs3107019Specdb::MsMs3107020HMDB3599249263#<Reference:0x0000555675ba5ce0>AniseType 1specificPimpinella anisum271192CarrotType 1specificDaucus carota ssp. sativus7920065.133333180.03.8mg/100 gCitrusUnknowngenericCommon oreganoType 1specificOriganum vulgare3935232.1532.1532.15mg/100 gCuminType 1specificCuminum cyminum5246221.021.021.0mg/100 gFats and oilsUnknowngenericGingerType 1specificZingiber officinale94328GuavaType 1specificPsidium guajava120290Herbs and SpicesUnknowngenericLemonType 1specificCitrus limon270821.1521.1521.15mg/100 gLimeType 1specificCitrus aurantiifolia1590339.09.09.0mg/100 gMandarin orange (Clementine, Tangerine)Type 1specificCitrus reticulata85571NutmegType 1specificMyristica fragrans51089ParsleyType 1specificPetroselinum crispum40431.2382.20.276mg/100 gParsnipType 1specificPastinaca sativa4041Pepper (Spice)Type 1specificPiper nigrum13216Pot marjoramType 1specificOriganum onites45241674.05123.524.6mg/100 gRoman camomileType 1specificChamaemelum nobile99037RosemaryType 1specificRosmarinus officinalis39367Star aniseType 1specificIllicium verum1247783.83.83.8mg/100 gSweet basilType 1specificOcimum basilicum393500.650.650.65mg/100 gSweet bayType 1specificLaurus nobilis85223Sweet orangeType 1specificCitrus sinensis2711TurmericType 1specificCurcuma longa136217Wild carrotType 1specificDaucus carota403965.133333180.03.8mg/100 gWinter savoryType 1specificSatureja montana4998821.021.021.0mg/100 gbalsamicabortifacient13A chemical substance that interrupts pregnancy after implantation.anti rhinoviral588A substance that destroys or inhibits replication of viruses.anti ulcer676One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.anti viral689A substance that destroys or inhibits replication of viruses.perfumery1206A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.stomachic1330