1.0 2011-03-17 23:28:48 UTC 2025-11-19 02:39:25 UTC FDB021748 1-O-Cinnamoylglucose 1-o-e-cinnamoylglucose is a member of the class of compounds known as O-cinnamoyl glycosides. O-cinnamoyl glycosides are o-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. 1-o-e-cinnamoylglucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-e-cinnamoylglucose can be found in fruits, which makes 1-o-e-cinnamoylglucose a potential biomarker for the consumption of this food product. 1-O-Cinnamoylglucose C15H18O7 310.2992 310.10525293 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-phenylprop-2-enoate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-phenylprop-2-enoate 41682-52-4 OCC1OC(OC(=O)\C=C\C2=CC=CC=C2)C(O)C(O)C1O InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+ CJGRGYBLAHPYOM-VOTSOKGWSA-N belongs to the class of organic compounds known as o-cinnamoyl glycosides. These are o-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. O-cinnamoyl glycosides Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid esters Aromatic heteromonocyclic compounds Acetals Carbonyl compounds Enoate esters Fatty acid esters Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Styrenes Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Fatty acyl Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-cinnamoyl glycoside Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Styrene logp -0.41 ALOGPS logs -1.52 ALOGPS solubility 9.42e+00 g/l ALOGPS logp 0.1 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-phenylprop-2-enoate ChemAxon average_mass 310.2992 ChemAxon mono_mass 310.10525293 ChemAxon smiles OCC1OC(OC(=O)\C=C\C2=CC=CC=C2)C(O)C(O)C1O ChemAxon formula C15H18O7 ChemAxon inchi InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+ ChemAxon inchikey CJGRGYBLAHPYOM-VOTSOKGWSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 75.49 ChemAxon polarizability 31.29 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22370 Specdb::CMs 41863 Specdb::CMs 133364 Specdb::CMs 141098 Specdb::NmrOneD 161089 Specdb::NmrOneD 161090 Specdb::NmrOneD 161091 Specdb::NmrOneD 161092 Specdb::NmrOneD 161093 Specdb::NmrOneD 161094 Specdb::NmrOneD 161095 Specdb::NmrOneD 161096 Specdb::NmrOneD 161097 Specdb::NmrOneD 161098 Specdb::NmrOneD 161099 Specdb::NmrOneD 161100 Specdb::NmrOneD 161101 Specdb::NmrOneD 161102 Specdb::NmrOneD 161103 Specdb::NmrOneD 161104 Specdb::NmrOneD 161105 Specdb::NmrOneD 161106 Specdb::NmrOneD 161107 Specdb::NmrOneD 161108 Specdb::MsMs 64680 Specdb::MsMs 64681 Specdb::MsMs 64682 Specdb::MsMs 121911 Specdb::MsMs 121912 Specdb::MsMs 121913 Specdb::MsMs 2692856 Specdb::MsMs 2692857 Specdb::MsMs 2692858 Specdb::MsMs 2985836 Specdb::MsMs 2985837 Specdb::MsMs 2985838 HMDB0030293 Sweet orange Type 1 specific Citrus sinensis 2711 1.503206 1.503205908 1.503205908 mg/100 g