1.0 2010-04-08 22:09:32 UTC 2019-11-26 03:04:43 UTC FDB011239 (1R,4R,5S)-5-Hydroxyfenchone glucoside Constituent of Foeniculum vulgare (fennel). (1R,4R,5S)-5-Hydroxyfenchone glucoside is found in herbs and spices. (1R,4R,5S)-5-Hydroxyfenchone O-b-D-glucopyranoside C16H26O7 330.3734 330.167853186 1,3,3-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-one 1,3,3-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-one 155960-75-1 CC1(C)C2CC(C)(CC2OC2OC(CO)C(O)C(O)C2O)C1=O InChI=1S/C16H26O7/c1-15(2)7-4-16(3,14(15)21)5-8(7)22-13-12(20)11(19)10(18)9(6-17)23-13/h7-13,17-20H,4-6H2,1-3H3 WZIIAEDQDFVGCF-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Bicyclic monoterpenoids Hexoses Hydrocarbon derivatives Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Bicyclic monoterpenoid Carbonyl group Fenchane monoterpenoid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide Monoterpenoid Norbornane monoterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Terpene glycoside logp -0.56 ALOGPS logs -1.21 ALOGPS solubility 2.03e+01 g/l ALOGPS logp -0.015 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3,3-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[2.2.1]heptan-2-one ChemAxon average_mass 330.3734 ChemAxon mono_mass 330.167853186 ChemAxon smiles CC1(C)C2CC(C)(CC2OC2OC(CO)C(O)C(O)C2O)C1=O ChemAxon formula C16H26O7 ChemAxon inchi InChI=1S/C16H26O7/c1-15(2)7-4-16(3,14(15)21)5-8(7)22-13-12(20)11(19)10(18)9(6-17)23-13/h7-13,17-20H,4-6H2,1-3H3 ChemAxon inchikey WZIIAEDQDFVGCF-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 78.55 ChemAxon polarizability 34.09 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10350 Specdb::CMs 43154 Specdb::CMs 153323 Specdb::NmrOneD 118898 Specdb::NmrOneD 118899 Specdb::NmrOneD 118900 Specdb::NmrOneD 118901 Specdb::NmrOneD 118902 Specdb::NmrOneD 118903 Specdb::NmrOneD 118904 Specdb::NmrOneD 118905 Specdb::NmrOneD 118906 Specdb::NmrOneD 118907 Specdb::NmrOneD 118908 Specdb::NmrOneD 118909 Specdb::NmrOneD 118910 Specdb::NmrOneD 118911 Specdb::NmrOneD 118912 Specdb::NmrOneD 118913 Specdb::NmrOneD 118914 Specdb::NmrOneD 118915 Specdb::NmrOneD 118916 Specdb::NmrOneD 118917 Specdb::MsMs 59166 Specdb::MsMs 59167 Specdb::MsMs 59168 Specdb::MsMs 115230 Specdb::MsMs 115231 Specdb::MsMs 115232 Specdb::MsMs 2291604 Specdb::MsMs 2291605 Specdb::MsMs 2291606 Specdb::MsMs 2643945 Specdb::MsMs 2643946 Specdb::MsMs 2643947 HMDB33224 #<Reference:0x000055ce322d03b0> Herbs and Spices Unknown generic