1.0 2010-04-08 22:13:03 UTC 2018-05-29 01:31:09 UTC FDB017364 Curcumadiol Constituent of Curcuma zedoaria (zedoary) Cucumadiol Curcumadiol C15H26O2 238.3657 238.193280076 1,4-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulene-1,4-diol 7-isopropyl-1,4-dimethyl-2,3,3a,5,8,8a-hexahydroazulene-1,4-diol 31946-48-2 CC(C)C1=CCC(C)(O)C2CCC(C)(O)C2C1 InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h5,10,12-13,16-17H,6-9H2,1-4H3 FNMDHMSGEIODFP-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 Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Guaiane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol logp 2.83 ALOGPS logs -2.81 ALOGPS solubility 3.66e-01 g/l ALOGPS melting_point Mp 145-145.5° logp 2.22 ChemAxon pka_strongest_acidic 14.44 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1,4-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulene-1,4-diol ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CC(C)C1=CCC(C)(O)C2CCC(C)(O)C2C1 ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h5,10,12-13,16-17H,6-9H2,1-4H3 ChemAxon inchikey FNMDHMSGEIODFP-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 71.11 ChemAxon polarizability 28.36 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23678 Specdb::CMs 45696 Specdb::CMs 153501 Specdb::MsMs 65877 Specdb::MsMs 65878 Specdb::MsMs 65879 Specdb::MsMs 123324 Specdb::MsMs 123325 Specdb::MsMs 123326 Specdb::MsMs 2750479 Specdb::MsMs 2750480 Specdb::MsMs 2750481 Specdb::MsMs 2927596 Specdb::MsMs 2927597 Specdb::MsMs 2927598 HMDB38136 #<Reference:0x000055ce331f5660>