1.0 2010-04-08 22:13:06 UTC 2020-09-17 15:33:46 UTC FDB017447 alpha-Cadinene Alpha-Cadinene, also known as Cadinene, belongs to the class of organic compounds known as sesquiterpenoids. Sesquiterpenes are terpenes that contain 15 carbon atoms and are comprised of three isoprene units. The biosynthesis of sesquiterpenes is known to occur mainly through the mevalonic acid pathway (MVA), in the cytosol. However, recent studies have found evidence of pathway crosstalk with the methyl-eritritol-phosphate (MEP) pathway in the plastid (PMID: 19932496, 17710406). Farnesyl diphosphate (FPP) is a key intermediate in the biosynthesis of cyclic sesquiterpenes. FPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. Alpha-Cadinene is possibly neutral. Alpha-Cadinene is a colorless liquid with a woody dry odor. It is one of the four isomers of Cadinene including β-Cadinene, γ-Cadinene and δ-Cadinene. Cadinene is the trivial chemical name of a number of isomeric hydrocarbons that occur in a wide variety of essential oil-producing plants. (-)-a-Cadinene &alpha;-cadinene 1,2,4a,5,6,8a-hexahydro-4,7-Dimethyl-1-(1-methylethyl)-(1S,4ar,8ar)-naphthalene a-Cadinene alpha-Cadinene Cadina-4,9-diene, (-)- (8CI) Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aR)- C15H24 204.3511 204.187800768 (1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene (4S,4aR,8aR)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydronaphthalene 24406-05-1 [H][C@@]12CCC(C)=C[C@@]1([H])[C@@H](CC=C2C)C(C)C InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1 QMAYBMKBYCGXDH-KKUMJFAQSA-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 Cadinane sesquiterpenoids sesquiterpenoid logp 5.00 ALOGPS logs -4.30 ALOGPS solubility 1.03e-02 g/l ALOGPS logp 4.45 ChemAxon iupac (1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles [H][C@@]12CCC(C)=C[C@@]1([H])[C@@H](CC=C2C)C(C)C 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/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1 ChemAxon inchikey QMAYBMKBYCGXDH-KKUMJFAQSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 68.6 ChemAxon polarizability 26.5 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11179 Specdb::CMs 167813 Specdb::MsMs 103398 Specdb::MsMs 103399 Specdb::MsMs 103400 Specdb::MsMs 169428 Specdb::MsMs 169429 Specdb::MsMs 169430 Specdb::MsMs 3055799 Specdb::MsMs 3055800 Specdb::MsMs 3055801 Specdb::MsMs 3112025 Specdb::MsMs 3112026 Specdb::MsMs 3112027 HMDB38205 #<Reference:0x000055ce324b0fb8> Alcoholic beverages Unknown generic Allspice Type 1 specific Pimenta dioica 375272 Cloves Type 1 specific Syzygium aromaticum 219868 Dill Type 1 specific Anethum graveolens 40922 Ginger Type 1 specific Zingiber officinale 94328 Hyssop Type 1 specific Hyssopus officinalis 39324 Lemon balm Type 1 specific Melissa officinalis 39338 0.01 0.01 0.01 mg/100 g Peppermint Type 1 specific Mentha X piperita 34256 Roman camomile Type 1 specific Chamaemelum nobile 99037 Sweet basil Type 1 specific Ocimum basilicum 39350 Sweet bay Type 1 specific Laurus nobilis 85223 dry woody