1.0 2010-04-08 22:05:58 UTC 2025-11-18 22:54:06 UTC FDB003841 Calamenene (e)-calamene is also known as calamenene or 1,6-dimethyl-4-isopropyltetralin. (e)-calamene can be found in a number of food items such as guava, lovage, summer savory, and rosemary, which makes (e)-calamene a potential biomarker for the consumption of these food products (e)-calamene can be found primarily in urine. C15H22 202.3352 202.172150704 1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene 4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene 1406-50-4 CC(C)C1CCC(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 PGTJIOWQJWHTJJ-UHFFFAOYSA-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 1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene ChemAxon average_mass 202.3352 ChemAxon mono_mass 202.172150704 ChemAxon smiles CC(C)C1CCC(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 ChemAxon inchikey PGTJIOWQJWHTJJ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 66.83 ChemAxon polarizability 25.69 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 35941 Specdb::CMs 153601 Specdb::MsMs 51372 Specdb::MsMs 51373 Specdb::MsMs 51374 Specdb::MsMs 110703 Specdb::MsMs 110704 Specdb::MsMs 110705 Specdb::MsMs 3223942 Specdb::MsMs 3223943 Specdb::MsMs 3223944 Specdb::MsMs 3223945 Specdb::MsMs 3223946 Specdb::MsMs 3223947 HMDB0059910 Allspice Type 1 specific Pimenta dioica 375272 9.0 9.0 9.0 mg/100 g Cloves Type 1 specific Syzygium aromaticum 219868 Common oregano Type 1 specific Origanum vulgare 39352 6.0 6.0 6.0 mg/100 g Dill Type 1 specific Anethum graveolens 40922 Ginger Type 1 specific Zingiber officinale 94328 Grape Type 1 specific Vitis 3603 Guava Type 1 specific Psidium guajava 120290 Lovage Type 1 specific Levisticum officinale 48042 0.25 0.25 0.25 mg/100 g Pepper (Spice) Type 1 specific Piper nigrum 13216 Rosemary Type 1 specific Rosmarinus officinalis 39367 0.3 0.3 0.3 mg/100 g Summer savory Type 1 specific Satureja hortensis 49987 Sweet basil Type 1 specific Ocimum basilicum 39350