1.0 2010-04-08 22:06:56 UTC 2025-11-18 23:00:41 UTC FDB006010 Cadina-1,4-diene Cadina-1,4-diene can be found in allspice, cloves, lemon balm, and rosemary, which makes cadina-1,4-diene a potential biomarker for the consumption of these food products. Cubenene C15H24 204.3511 204.187800768 (1S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene (1S)-4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene 16728-99-7 CC(C)C1CC[C@H](C)C2=CCC(C)=CC12 InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13?,15?/m0/s1 JUQGWBAOQUBVFP-OPFPJEHXSA-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 Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Branched unsaturated hydrocarbon Cadinane sesquiterpenoid Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 5.33 ALOGPS logs -4.23 ALOGPS solubility 1.22e-02 g/l ALOGPS logp 4.45 ChemAxon iupac (1S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC(C)C1CC[C@H](C)C2=CCC(C)=CC12 ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13?,15?/m0/s1 ChemAxon inchikey JUQGWBAOQUBVFP-OPFPJEHXSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 68.6 ChemAxon polarizability 26.47 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44331 Specdb::MsMs 44332 Specdb::MsMs 44333 Specdb::MsMs 114573 Specdb::MsMs 114574 Specdb::MsMs 114575 Specdb::MsMs 3602402 Specdb::MsMs 3602403 Specdb::MsMs 3602404 Specdb::MsMs 3602405 Specdb::MsMs 3602406 Specdb::MsMs 3602407 Allspice Type 1 specific Pimenta dioica 375272 Cloves Type 1 specific Syzygium aromaticum 219868 Lemon balm Type 1 specific Melissa officinalis 39338 0.01 0.01 0.01 mg/100 g Rosemary Type 1 specific Rosmarinus officinalis 39367