1.0 2010-04-08 22:08:23 UTC 2019-11-26 03:03:24 UTC FDB009046 Cadinene Cadinene is the trivial chemical name of a number of isomeric hydrocarbons that occur in a wide variety of essential oil-producing plants. They all share the cadalane skeleton (4-isopropyl-1,6-dimethyldecahydronaphthalene) and can be further subdivided in: cadinenes, muurolene, amorphenes, and bulgarenes. According to the double bonds positions, they are also subdivided in alpha [e.g. 4,9-Cadinadiene], beta, gamma [e.g. 4,10(15)-Cadinadiene], delta [e.g. 1(10),4-Cadinadiene], epsilon, zeta 1 and zeta 2. Prominent stereo-isomers are: alpha-cadinene (FDB017447), gamma-cadinene (FDB017449), and delta-cadinene (FDB013710). Cadinene is found in many foods, some of which are lemon, sweet marjoram, peppermint, and cottonseed. C15H28 208.3828 208.219100896 1,6-dimethyl-4-(propan-2-yl)-decahydronaphthalene 4-isopropyl-1,6-dimethyl-decahydronaphthalene CC(C)C1CCC(C)C2CCC(C)CC12 InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3 FZZNNPQZDRVKLU-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 Aliphatic homopolycyclic compounds Polycyclic hydrocarbons Saturated hydrocarbons Aliphatic homopolycyclic compound Cadinane sesquiterpenoid Hydrocarbon Polycyclic hydrocarbon Saturated hydrocarbon Sesquiterpenoid logp 5.70 ALOGPS logs -6.29 ALOGPS solubility 1.07e-04 g/l ALOGPS logp 5.26 ChemAxon iupac 1,6-dimethyl-4-(propan-2-yl)-decahydronaphthalene ChemAxon average_mass 208.3828 ChemAxon mono_mass 208.219100896 ChemAxon smiles CC(C)C1CCC(C)C2CCC(C)CC12 ChemAxon formula C15H28 ChemAxon inchi InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3 ChemAxon inchikey FZZNNPQZDRVKLU-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 66.9 ChemAxon polarizability 27.74 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25338 Specdb::CMs 131981 Specdb::CMs 139715 Specdb::MsMs 322090 Specdb::MsMs 322091 Specdb::MsMs 322092 Specdb::MsMs 369907 Specdb::MsMs 369908 Specdb::MsMs 369909 Specdb::MsMs 2728909 Specdb::MsMs 2728910 Specdb::MsMs 2728911 Specdb::MsMs 2979926 Specdb::MsMs 2979927 Specdb::MsMs 2979928 HMDB32182 22976 #<Reference:0x00007f093c1ace70> #<Reference:0x00007f093c1accb8> Caraway Type 1 specific Carum carvi 48032 372.0 372.0 372.0 mg/100 g Cottonseed Type 1 specific Gossypium 3633 240.0 240.0 240.0 mg/100 g Lemon Type 1 specific Citrus limon 2708 Peppermint Type 1 specific Mentha X piperita 34256 Sweet marjoram Type 1 specific Origanum majorana 268884 Anti feedant 275 Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.