1.0 2010-04-08 22:10:52 UTC 2025-11-19 00:31:09 UTC FDB013707 (5beta,7beta,10beta)-3,11-Eudesmadien-2-one Constituent of grapefruit (Citrus paradisi). (5beta,7beta,10beta)-3,11-Eudesmadien-2-one is found in citrus. [4aS-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone C15H22O 218.3346 218.167065326 4,8a-dimethyl-6-(prop-1-en-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one 4,8a-dimethyl-6-(prop-1-en-2-yl)-1,4a,5,6,7,8-hexahydronaphthalen-2-one 86917-80-8 CC(=C)C1CCC2(C)CC(=O)C=C(C)C2C1 InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,12,14H,1,5-6,8-9H2,2-4H3 IVZATFCVCDHOLU-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 4.03 ALOGPS logs -3.95 ALOGPS solubility 2.48e-02 g/l ALOGPS melting_point Mp 38° logp 3.7 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 4,8a-dimethyl-6-(prop-1-en-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles CC(=C)C1CCC2(C)CC(=O)C=C(C)C2C1 ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,12,14H,1,5-6,8-9H2,2-4H3 ChemAxon inchikey IVZATFCVCDHOLU-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 68.07 ChemAxon polarizability 26.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13032 Specdb::CMs 155655 Specdb::MsMs 54045 Specdb::MsMs 54046 Specdb::MsMs 54047 Specdb::MsMs 151848 Specdb::MsMs 151849 Specdb::MsMs 151850 Specdb::MsMs 2684298 Specdb::MsMs 2684299 Specdb::MsMs 2684300 Specdb::MsMs 3024096 Specdb::MsMs 3024097 Specdb::MsMs 3024098 HMDB0035082 Citrus Unknown generic