1.0 2010-04-08 22:10:54 UTC 2019-11-26 03:09:03 UTC FDB013783 Aristolene Constituent of calarene from sweet flag oil. Aristolene is found in herbs and spices and root vegetables. (-)-9-Aristolene (-)-aristolene Aristol-9-ene Aristolen Aristolene C15H24 204.3511 204.187800768 1,1,7,7a-tetramethyl-1H,1aH,2H,4H,5H,6H,7H,7aH,7bH-cyclopropa[a]naphthalene 1,1,7,7a-tetramethyl-1aH,2H,4H,5H,6H,7H,7bH-cyclopropa[a]naphthalene 6831-16-9 CC1CCCC2=CCC3C(C3(C)C)C12C InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h8,10,12-13H,5-7,9H2,1-4H3 FOBXOZMHEKILEY-UHFFFAOYSA-N belongs to the class of organic compounds known as aristolane sesquiterpenoids. These are sesquiterpenoids with a structure based on the aristolane skeleton. Aristolanes arise from the C6,C11 cyclization of the bicyclic eremophilane skeleton. Aristolane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Aristolane sesquiterpenoid Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 4.65 ALOGPS logs -5.06 ALOGPS solubility 1.79e-03 g/l ALOGPS logp 4.1 ChemAxon iupac 1,1,7,7a-tetramethyl-1H,1aH,2H,4H,5H,6H,7H,7aH,7bH-cyclopropa[a]naphthalene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC1CCCC2=CCC3C(C3(C)C)C12C ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h8,10,12-13H,5-7,9H2,1-4H3 ChemAxon inchikey FOBXOZMHEKILEY-UHFFFAOYSA-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::CMs 15411 Specdb::CMs 148764 Specdb::MsMs 106665 Specdb::MsMs 106666 Specdb::MsMs 106667 Specdb::MsMs 173475 Specdb::MsMs 173476 Specdb::MsMs 173477 Specdb::MsMs 2320418 Specdb::MsMs 2320419 Specdb::MsMs 2320420 Specdb::MsMs 2619032 Specdb::MsMs 2619033 Specdb::MsMs 2619034 HMDB35146 #<Reference:0x000055ce327725a8> Herbs and Spices Unknown generic Root vegetables Unknown generic