1.0 2010-04-08 22:06:39 UTC 2025-11-18 22:58:58 UTC FDB005348 Guaiane Guaiane is a member of the class of compounds known as guaianes. Guaianes 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. Guaiane can be found in turmeric, which makes guaiane a potential biomarker for the consumption of this food product. (1S,3aS,4S,7R,8aS)-7-isopropyl-1,4-dimethyldecahydroazulene Guaiane C15H28 208.3828 208.219100896 (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-(propan-2-yl)-decahydroazulene guaiane CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)[C@@H]2C1 InChI=1S/C15H28/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-15H,5-9H2,1-4H3/t11-,12-,13+,14-,15-/m0/s1 QAQCPAHQVOKALN-RMEBNNNOSA-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 Polycyclic hydrocarbons Saturated hydrocarbons Aliphatic homopolycyclic compound Guaiane sesquiterpenoid Hydrocarbon Polycyclic hydrocarbon Saturated hydrocarbon sesquiterpene terpenoid fundamental parent logp 5.72 ALOGPS logs -6.29 ALOGPS solubility 1.06e-04 g/l ALOGPS logp 5.26 ChemAxon iupac (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-(propan-2-yl)-decahydroazulene ChemAxon average_mass 208.3828 ChemAxon mono_mass 208.219100896 ChemAxon smiles CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@H](C)[C@@H]2C1 ChemAxon formula C15H28 ChemAxon inchi InChI=1S/C15H28/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-15H,5-9H2,1-4H3/t11-,12-,13+,14-,15-/m0/s1 ChemAxon inchikey QAQCPAHQVOKALN-RMEBNNNOSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 66.9 ChemAxon polarizability 27.37 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100155 Specdb::MsMs 100156 Specdb::MsMs 100157 Specdb::MsMs 165402 Specdb::MsMs 165403 Specdb::MsMs 165404 36744 Turmeric Type 1 specific Curcuma longa 136217