1.0 2010-04-08 22:06:05 UTC 2025-11-18 22:55:11 UTC FDB004100 Dehydrofukinone Dehydrofukinone is a member of the class of compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Dehydrofukinone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Dehydrofukinone can be found in burdock, which makes dehydrofukinone a potential biomarker for the consumption of this food product. 3-Desoxyisopetasol 9(10)-DEHYDROFUKINONE Dehydrofukinone Dihydrokaranone Isopetasan C15H22O 218.3346 218.167065326 (4aR,5S)-4a,5-dimethyl-3-(propan-2-ylidene)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one (4aR,5S)-4a,5-dimethyl-3-(propan-2-ylidene)-5,6,7,8-tetrahydro-4H-naphthalen-2-one C[C@H]1CCCC2=CC(=O)C(C[C@]12C)=C(C)C InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11H,5-7,9H2,1-4H3/t11-,15+/m0/s1 DZOKWSREAZGFFC-XHDPSFHLSA-N belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclohexenones Hydrocarbon derivatives O-quinomethanes Organic oxides Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone Eremophilane sesquiterpenoid Hydrocarbon derivative Ketone O-quinomethane Organic oxide Organic oxygen compound Organooxygen compound Quinomethane logp 3.99 ALOGPS logs -3.48 ALOGPS solubility 7.27e-02 g/l ALOGPS logp 4.11 ChemAxon pka_strongest_acidic 19.3 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (4aR,5S)-4a,5-dimethyl-3-(propan-2-ylidene)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles C[C@H]1CCCC2=CC(=O)C(C[C@]12C)=C(C)C ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11H,5-7,9H2,1-4H3/t11-,15+/m0/s1 ChemAxon inchikey DZOKWSREAZGFFC-XHDPSFHLSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 68.93 ChemAxon polarizability 26.13 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84594 Specdb::MsMs 84595 Specdb::MsMs 84596 Specdb::MsMs 146484 Specdb::MsMs 146485 Specdb::MsMs 146486 Specdb::MsMs 3599954 Specdb::MsMs 3599955 Specdb::MsMs 3599956 Specdb::MsMs 3599957 Specdb::MsMs 3599958 Specdb::MsMs 3599959 Burdock Type 1 specific Arctium lappa 4217