1.0 2010-04-08 22:12:12 UTC 2019-11-26 03:12:39 UTC FDB016044 (+)-4,11-Eudesmadien-3-one Constituent of Cyperus rotundus (nutgrass). (+)-4,11-Eudesmadien-3-one is found in root vegetables. (+)-alpha-Cyperone (4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone Eudesma-4,11-dien-3-one C15H22O 218.3346 218.167065326 1,4a-dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one 1,4a-dimethyl-7-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one 473-08-5 CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1 InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3 KUFXJZXMWHNCEH-UHFFFAOYSA-N belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclohexenones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound logp 3.92 ALOGPS logs -3.41 ALOGPS solubility 8.41e-02 g/l ALOGPS logp 3.81 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 1,4a-dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1 ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3 ChemAxon inchikey KUFXJZXMWHNCEH-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 67.88 ChemAxon polarizability 26.26 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17028 Specdb::CMs 27822 Specdb::CMs 101855 Specdb::CMs 155933 Specdb::MsMs 60132 Specdb::MsMs 60133 Specdb::MsMs 60134 Specdb::MsMs 116409 Specdb::MsMs 116410 Specdb::MsMs 116411 Specdb::MsMs 2394211 Specdb::MsMs 2394212 Specdb::MsMs 2394213 Specdb::MsMs 2571482 Specdb::MsMs 2571483 Specdb::MsMs 2571484 HMDB37061 #<Reference:0x000055ce304c4e70> Root vegetables Unknown generic