1.0 2010-04-08 22:07:21 UTC 2025-11-18 23:03:00 UTC FDB006899 1-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-Calamenene C15H22 202.341 202.172150708 (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-tetrahydronaphthalene 483-77-2 CC(C)[C@@H]1CC[C@H](C)C2=CC=C(C)C=C12 InChI=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/s1 PGTJIOWQJWHTJJ-STQMWFEESA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homopolycyclic compounds Aromatic hydrocarbons Polycyclic hydrocarbons Tetralins Unsaturated hydrocarbons Aromatic homopolycyclic compound Aromatic hydrocarbon Benzenoid Cadinane sesquiterpenoid Hydrocarbon Polycyclic hydrocarbon Sesquiterpenoid Tetralin Unsaturated hydrocarbon logp 5.60 ALOGPS logs -6.11 ALOGPS solubility 1.57e-04 g/l ALOGPS logp 5.24 ChemAxon iupac (1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene ChemAxon average_mass 202.341 ChemAxon mono_mass 202.172150708 ChemAxon smiles CC(C)[C@@H]1CC[C@H](C)C2=CC=C(C)C=C12 ChemAxon formula C15H22 ChemAxon inchi InChI=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/s1 ChemAxon inchikey PGTJIOWQJWHTJJ-STQMWFEESA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 66.83 ChemAxon polarizability 25.71 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5695 Specdb::MsMs 44238 Specdb::MsMs 44239 Specdb::MsMs 44240 Specdb::MsMs 167874 Specdb::MsMs 167875 Specdb::MsMs 167876 Specdb::MsMs 3603419 Specdb::MsMs 3603420 Specdb::MsMs 3603421 Specdb::MsMs 3603422 Specdb::MsMs 3603423 Specdb::MsMs 3603424 Grape Type 1 specific Vitis 3603 Rosemary Type 1 specific Rosmarinus officinalis 39367 0.2 0.2 0.2 mg/100 g herb spice