1.02010-04-08 22:06:23 UTC2019-11-26 03:00:13 UTCFDB004759Cyclosativene Cyclosativene can be found in a number of food items such as sweet bay, ginger, corn, and allspice, which makes cyclosativene a potential biomarker for the consumption of these food products.(+)-cycloisosativene(+)-cyclosativeneCycloisosativeneCyclosativeneC15H24204.3511204.187800768(1R,2R,3S,4R,6S,8R)-1,2-dimethyl-8-(propan-2-yl)tetracyclo[4.4.0.0²,⁴.0³,⁷]decane(1R,2R,3S,4R,6S,8R)-8-isopropyl-1,2-dimethyltetracyclo[4.4.0.0²,⁴.0³,⁷]decaneCC(C)[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H](C13)[C@]24CInChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3/t9-,10+,11-,12?,13-,14+,15-/m1/s1XBWACJDEQIZTPR-CFIZJCQXSA-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 homopolycyclic compoundsPolycyclic hydrocarbonsSaturated hydrocarbonsAliphatic homopolycyclic compoundHydrocarbonPolycyclic hydrocarbonSaturated hydrocarbonSesquiterpenoidlogp3.15logs-5.53solubility6.01e-04 g/llogp3.73iupac(1R,2R,3S,4R,6S,8R)-1,2-dimethyl-8-(propan-2-yl)tetracyclo[4.4.0.0²,⁴.0³,⁷]decaneaverage_mass204.3511mono_mass204.187800768smilesCC(C)[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H](C13)[C@]24CformulaC15H24inchiInChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3/t9-,10+,11-,12?,13-,14+,15-/m1/s1inchikeyXBWACJDEQIZTPR-CFIZJCQXSA-Npolar_surface_area0refractivity62.94polarizability25.82rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsMs93159Specdb::MsMs93160Specdb::MsMs93161Specdb::MsMs156888Specdb::MsMs156889Specdb::MsMs156890Specdb::MsMs3600932Specdb::MsMs3600933Specdb::MsMs3600934Specdb::MsMs3600935Specdb::MsMs3600936Specdb::MsMs3600937AllspiceType 1specificPimenta dioica375272CornType 1specificZea mays4577GingerType 1specificZingiber officinale94328SafflowerType 1specificCarthamus tinctorius42220.0090.0090.009mg/100 gSweet basilType 1specificOcimum basilicum39350Sweet bayType 1specificLaurus nobilis85223