1.0 2010-04-08 22:12:03 UTC 2019-11-26 03:12:13 UTC FDB015797 Cembrene Constituent of oil of Pinus koraiensis (Korean pine) Cembrene A, or sometimes neocembrene, is a natural monocyclic diterpene isolated from corals of the genus Nephthea. It is a colorless oil with a faint wax-like odor. Cembrene is found in fats and oils and herbs and spices. (+)-cembrene (+)-thunbergen (1S,2E,7E,11E)-2,4(18),7,11-Cembratraene Cembrene Cembrene a Thumbelene Thunbergen Thunbergene C20H32 272.4681 272.250401024 (1Z,3E,6Z,10Z)-3,7,11-trimethyl-14-(propan-2-yl)cyclotetradeca-1,3,6,10-tetraene (1Z,3E,6Z,10Z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene 1898-13-1 CC(C)C1CC\C(C)=C/CC\C(C)=C/C\C=C(/C)\C=C/1 InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10+,19-11- DMHADBQKVWXPPM-ZRMRITCRSA-N belongs to the class of organic compounds known as cembrane diterpenoids. These are diterpenoids with a structure based a cembrane skeleton, which is characterized by the presence of an isopropyl group at C-1 and by three symmetrically disposed methyl groups a the t C-4, -8 and -12 positions. Cembrane diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homomonocyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Branched unsaturated hydrocarbon Cembrane diterpenoid Cyclic olefin Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 6.90 ALOGPS logs -5.13 ALOGPS solubility 2.01e-03 g/l ALOGPS melting_point Mp 58-59° logp 6.52 ChemAxon iupac (1Z,3E,6Z,10Z)-3,7,11-trimethyl-14-(propan-2-yl)cyclotetradeca-1,3,6,10-tetraene ChemAxon average_mass 272.4681 ChemAxon mono_mass 272.250401024 ChemAxon smiles CC(C)C1CC\C(C)=C/CC\C(C)=C/C\C=C(/C)\C=C/1 ChemAxon formula C20H32 ChemAxon inchi InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10+,19-11- ChemAxon inchikey DMHADBQKVWXPPM-ZRMRITCRSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 95.42 ChemAxon polarizability 35.32 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 79470 Specdb::MsMs 79471 Specdb::MsMs 79472 Specdb::MsMs 140088 Specdb::MsMs 140089 Specdb::MsMs 140090 Specdb::CMs 22230 HMDB36845 #<Reference:0x000055ce2e9e0fc8> #<Reference:0x000055ce2e9e0b40> Fats and oils Unknown generic Herbs and Spices Unknown generic