1.0 2010-04-08 22:11:47 UTC 2019-11-26 03:11:28 UTC FDB015335 Zedoarondiol Constituent of Curcuma zedoaria (zedoary). Zedoarondiol is found in turmeric. Zedoarondiol C15H24O3 252.3493 252.172544634 1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one 1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-hexahydroazulen-6-one 98644-24-7 CC(C)=C1CC2C(CCC2(C)O)C(C)(O)CC1=O InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3 TXIKNNOOLCGADE-UHFFFAOYSA-N belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. Guaianes Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Cyclic ketones Hydrocarbon derivatives Organic oxides Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Guaiane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol logp 1.15 ALOGPS logs -2.18 ALOGPS solubility 1.67e+00 g/l ALOGPS melting_point Mp 133-134° logp 1.67 ChemAxon pka_strongest_acidic 14.36 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one ChemAxon average_mass 252.3493 ChemAxon mono_mass 252.172544634 ChemAxon smiles CC(C)=C1CC2C(CCC2(C)O)C(C)(O)CC1=O ChemAxon formula C15H24O3 ChemAxon inchi InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3 ChemAxon inchikey TXIKNNOOLCGADE-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 71.39 ChemAxon polarizability 28.56 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17847 Specdb::CMs 44876 Specdb::CMs 165826 Specdb::MsMs 11063 Specdb::MsMs 11064 Specdb::MsMs 11065 Specdb::MsMs 17735 Specdb::MsMs 17736 Specdb::MsMs 17737 Specdb::MsMs 452137 Specdb::MsMs 2467817 Specdb::MsMs 2467818 Specdb::MsMs 2467819 Specdb::MsMs 2497385 Specdb::MsMs 2497386 Specdb::MsMs 2497387 HMDB36448 #<Reference:0x000055ce31f72970> #<Reference:0x000055ce31f727b8> Turmeric Type 1 specific Curcuma longa 136217