1.0 2010-04-08 22:12:02 UTC 2025-11-19 00:58:55 UTC FDB015770 3-Oxo-alpha-ionol 9-glucoside Isolated from raspberry (Rubus idaeus) and the leaves of Dalmatian sage (Salvia officinalis). 3-Oxo-alpha-ionol 9-glucoside is found in herbs and spices, fruits, and red raspberry. (3S,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside (3S,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-b-D-glucopyranoside (3S,7E,9R)-9-Hydroxy-4,7-megastigmadien-3-one 9-O-b-D-glucoside 3-Oxo-alpha-ionol 9-glucoside 3-Oxo-alpha-ionol 9-O-b-D-glucopyranoside 3-Oxo-alpha-ionol 9-O-b-D-glucoside C19H30O7 370.4373 370.199153314 3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one 3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one 109-04-6 CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+ SZOPSAFLRCYJCX-AATRIKPKSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Cyclohexenones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Cyclic ketone Cyclofarsesane sesquiterpenoid Cyclohexenone Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid logp 0.36 ALOGPS logs -2.13 ALOGPS solubility 2.76e+00 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,5,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohex-2-en-1-one ChemAxon average_mass 370.4373 ChemAxon mono_mass 370.199153314 ChemAxon smiles CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1C(C)=CC(=O)CC1(C)C ChemAxon formula C19H30O7 ChemAxon inchi InChI=1S/C19H30O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-7,11,13-18,20,22-24H,8-9H2,1-4H3/b6-5+ ChemAxon inchikey SZOPSAFLRCYJCX-AATRIKPKSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 96.12 ChemAxon polarizability 39.43 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13344 Specdb::CMs 45056 Specdb::CMs 137853 Specdb::CMs 145587 Specdb::MsMs 87612 Specdb::MsMs 87613 Specdb::MsMs 87614 Specdb::MsMs 150141 Specdb::MsMs 150142 Specdb::MsMs 150143 Specdb::MsMs 2441668 Specdb::MsMs 2441669 Specdb::MsMs 2441670 Specdb::MsMs 2524923 Specdb::MsMs 2524924 Specdb::MsMs 2524925 HMDB0036822 Fruits Unknown generic Herbs and Spices Unknown generic Red raspberry Type 1 specific Rubus idaeus 32247