1.0 2010-04-08 22:11:00 UTC 2025-11-19 00:40:34 UTC FDB013974 Epishyobunone Constituent of the rhizome of Acorus calamus (sweet flag). Epishyobunone is found in herbs and spices and root vegetables. epi-Shyobunone Epishyobunone C15H24O 220.3505 220.18271539 3-ethenyl-3-methyl-2-(prop-1-en-2-yl)-6-(propan-2-yl)cyclohexan-1-one 3-ethenyl-6-isopropyl-3-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one 39020-72-9 CC(C)C1CCC(C)(C=C)C(C(C)=C)C1=O InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3 GWHRSRIPLDHJHR-UHFFFAOYSA-N belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively. Elemane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Elemane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound logp 4.26 ALOGPS logs -4.67 ALOGPS solubility 4.66e-03 g/l ALOGPS logp 4.42 ChemAxon pka_strongest_acidic 18.83 ChemAxon pka_strongest_basic -7.6 ChemAxon iupac 3-ethenyl-3-methyl-2-(prop-1-en-2-yl)-6-(propan-2-yl)cyclohexan-1-one ChemAxon average_mass 220.3505 ChemAxon mono_mass 220.18271539 ChemAxon smiles CC(C)C1CCC(C)(C=C)C(C(C)=C)C1=O ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3 ChemAxon inchikey GWHRSRIPLDHJHR-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 69.14 ChemAxon polarizability 26.92 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14334 Specdb::CMs 162563 Specdb::MsMs 12767 Specdb::MsMs 12768 Specdb::MsMs 12769 Specdb::MsMs 19439 Specdb::MsMs 19440 Specdb::MsMs 19441 Specdb::MsMs 2265111 Specdb::MsMs 2265112 Specdb::MsMs 2265113 Specdb::MsMs 3074397 Specdb::MsMs 3074398 Specdb::MsMs 3074399 HMDB0035306 Herbs and Spices Unknown generic Root vegetables Unknown generic