1.0 2010-04-08 22:11:03 UTC 2019-11-26 03:09:28 UTC FDB014066 Preisocalamendiol Constituent of Acorus calamus (sweet flag). Preisocalamendiol is found in herbs and spices and root vegetables. Neocurdione Preisocalamendiol C15H24O 220.3505 220.18271539 (5Z)-5-methyl-9-methylidene-2-(propan-2-yl)cyclodec-5-en-1-one (5Z)-2-isopropyl-5-methyl-9-methylidenecyclodec-5-en-1-one 25645-19-6 CC(C)C1CC\C(C)=C/CCC(=C)CC1=O InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6- QTFJNWQFKJITEE-SDQBBNPISA-N belongs to the class of organic compounds known as germacrane sesquiterpenoids. These are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. Germacrane 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 Germacrane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound logp 4.38 ALOGPS logs -3.98 ALOGPS solubility 2.29e-02 g/l ALOGPS logp 4.36 ChemAxon pka_strongest_acidic 16.6 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac (5Z)-5-methyl-9-methylidene-2-(propan-2-yl)cyclodec-5-en-1-one ChemAxon average_mass 220.3505 ChemAxon mono_mass 220.18271539 ChemAxon smiles CC(C)C1CC\C(C)=C/CCC(=C)CC1=O ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/b12-6- ChemAxon inchikey QTFJNWQFKJITEE-SDQBBNPISA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 70.1 ChemAxon polarizability 26.73 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15354 Specdb::CMs 148832 Specdb::MsMs 76854 Specdb::MsMs 76855 Specdb::MsMs 76856 Specdb::MsMs 136800 Specdb::MsMs 136801 Specdb::MsMs 136802 Specdb::MsMs 2329104 Specdb::MsMs 2329105 Specdb::MsMs 2329106 Specdb::MsMs 2636095 Specdb::MsMs 2636096 Specdb::MsMs 2636097 HMDB35391 #<Reference:0x000055ce327291f0> Herbs and Spices Unknown generic Root vegetables Unknown generic