1.02010-04-08 22:07:21 UTC2020-09-17 15:31:32 UTCFDB0068991-S-cis-Calamenene(E)-Calamene, also known as calamenene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (E)-Calamene is possibly neutral. (E)-Calamene is found in highest concentrations in allspices, common oregano, and rosemaries and in lower concentrations in lovages. (E)-Calamene has also been detected in cloves, guava, summer savories, sweet basils, and pepper (spice). This could make (E)-calamene a potential biomarker for the consumption of these foods. Calamene is a metabolite of plant Turnera diffusa (Damiana, Mexican holly, Old Woman's Broom), a small shrub of the family Tuneraceae. T. diffusa is native to both Central and South America and now commercially cultivated in Bolivia and Mexico.1S-cis-CalameneneC15H22202.341202.172150708(1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene(1S,4S)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene483-77-2CC(C)[C@@H]1CC[C@H](C)C2=CC=C(C)C=C12InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1PGTJIOWQJWHTJJ-STQMWFEESA-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 lipidsSesquiterpenoidsAromatic homopolycyclic compoundsAromatic hydrocarbonsPolycyclic hydrocarbonsTetralinsUnsaturated hydrocarbonsAromatic homopolycyclic compoundAromatic hydrocarbonBenzenoidCadinane sesquiterpenoidHydrocarbonPolycyclic hydrocarbonSesquiterpenoidTetralinUnsaturated hydrocarbonlogp5.60logs-6.11solubility1.57e-04 g/llogp5.24iupac(1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthaleneaverage_mass202.341mono_mass202.172150708smilesCC(C)[C@@H]1CC[C@H](C)C2=CC=C(C)C=C12formulaC15H22inchiInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1inchikeyPGTJIOWQJWHTJJ-STQMWFEESA-Npolar_surface_area0refractivity66.83polarizability25.71rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs5695Specdb::MsMs44238Specdb::MsMs44239Specdb::MsMs44240Specdb::MsMs167874Specdb::MsMs167875Specdb::MsMs167876Specdb::MsMs3603419Specdb::MsMs3603420Specdb::MsMs3603421Specdb::MsMs3603422Specdb::MsMs3603423Specdb::MsMs3603424GrapeType 1specificVitis3603RosemaryType 1specificRosmarinus officinalis393670.20.20.2mg/100 gherbspice