1.0 2010-04-08 22:07:03 UTC 2025-11-18 23:01:22 UTC FDB006255 2-Epi-alpha-cedrene 2-epi-alpha-cedrene is a member of the class of compounds known as cedrane and isocedrane sesquiterpenoids. Cedrane and isocedrane sesquiterpenoids are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. 2-epi-alpha-cedrene can be found in sweet basil, which makes 2-epi-alpha-cedrene a potential biomarker for the consumption of this food product. epi-alpha-Cedrene C15H24 204.3511 204.187800768 (1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0¹,⁵]undec-8-ene (1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0¹,⁵]undec-8-ene 35944-22-0 [H][C@@]12CC[C@H](C)[C@]11C[C@@H](C(C)=CC1)C2(C)C InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13-,15-/m0/s1 IRAQOCYXUMOFCW-ABHRYQDASA-N belongs to the class of organic compounds known as cedrane and isocedrane sesquiterpenoids. These are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. Cedrane and isocedrane 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 Cedrane sesquiterpenoid Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 5.18 ALOGPS logs -5.11 ALOGPS solubility 1.60e-03 g/l ALOGPS logp 4.1 ChemAxon iupac (1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0¹,⁵]undec-8-ene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles [H][C@@]12CC[C@H](C)[C@]11C[C@@H](C(C)=CC1)C2(C)C ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13-,15-/m0/s1 ChemAxon inchikey IRAQOCYXUMOFCW-ABHRYQDASA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 65.69 ChemAxon polarizability 25.62 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81033 Specdb::MsMs 81034 Specdb::MsMs 81035 Specdb::MsMs 142053 Specdb::MsMs 142054 Specdb::MsMs 142055 Specdb::MsMs 3602699 Specdb::MsMs 3602700 Specdb::MsMs 3602701 Specdb::MsMs 3603995 Specdb::MsMs 3603996 Specdb::MsMs 3603997 Sweet basil Type 1 specific Ocimum basilicum 39350