1.0 2020-04-02 17:36:31 UTC 2025-11-19 03:07:41 UTC FDB097241 Cadinene-gamma C42H76NO8P 754.043 753.530855409 (1R,4aS,8aS)-7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene gamma-cadinene [H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-15-13-11-9-7-2/h14,16,18-19,21-22,24-25,40H,6-13,15,17,20,23,26-39H2,1-5H3/b16-14-,19-18-,22-21-,25-24-/t40-/m1/s1 YOKRROJLYKOJNI-SRHQVDMPSA-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 cadinene logp 4.48 ALOGPS logs -4.54 ALOGPS solubility 5.94e-03 g/l ALOGPS logp 4.51 ChemAxon iupac (1R,4aS,8aS)-7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene ChemAxon average_mass 754.043 ChemAxon mono_mass 753.530855409 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C42H76NO8P ChemAxon inchi InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-15-13-11-9-7-2/h14,16,18-19,21-22,24-25,40H,6-13,15,17,20,23,26-39H2,1-5H3/b16-14-,19-18-,22-21-,25-24-/t40-/m1/s1 ChemAxon inchikey YOKRROJLYKOJNI-SRHQVDMPSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 67.53 ChemAxon polarizability 26.38 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 6003 Specdb::CMs 147977 Specdb::MsMs 241513 Specdb::MsMs 241514 Specdb::MsMs 241515 Specdb::MsMs 243568 Specdb::MsMs 243569 Specdb::MsMs 243570 Specdb::MsMs 2816131 Specdb::MsMs 2816132 Specdb::MsMs 2816133 Specdb::MsMs 2892656 Specdb::MsMs 2892657 Specdb::MsMs 2892658 Cheese Type 2 specific Milk (Cow) Type 2 specific 99.990625 450.0 0.074 uM