1.0 2010-04-08 22:04:29 UTC 2025-11-18 22:16:34 UTC FDB000238 Feruloyl glucose 1-o-feruloylglucose is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. 1-o-feruloylglucose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-feruloylglucose can be found in green vegetables and root vegetables, which makes 1-o-feruloylglucose a potential biomarker for the consumption of these food products. C16H20O9 356.3246 356.110732238 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate COC1=C(O)C=CC(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+ JWRQVQWBNRGGPK-HWKANZROSA-N belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives. Hydroxycinnamic acid glycosides Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Coumaric acids and derivatives Enoate esters Fatty acid esters Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives O-cinnamoyl glycosides Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Hexose monosaccharide Hydrocarbon derivative Hydroxycinnamic acid glycoside Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-cinnamoyl glycoside Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene logp -0.44 ALOGPS logs -1.78 ALOGPS solubility 5.97e+00 g/l ALOGPS logp -0.36 ChemAxon pka_strongest_acidic 9.87 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 356.3246 ChemAxon mono_mass 356.110732238 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)=C1 ChemAxon formula C16H20O9 ChemAxon inchi InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+ ChemAxon inchikey JWRQVQWBNRGGPK-HWKANZROSA-N ChemAxon polar_surface_area 145.91 ChemAxon refractivity 83.94 ChemAxon polarizability 35.25 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25456 Specdb::CMs 45141 Specdb::CMs 130827 Specdb::CMs 138561 Specdb::NmrOneD 137570 Specdb::NmrOneD 137571 Specdb::NmrOneD 137572 Specdb::NmrOneD 137573 Specdb::NmrOneD 137574 Specdb::NmrOneD 137575 Specdb::NmrOneD 137576 Specdb::NmrOneD 137577 Specdb::NmrOneD 137578 Specdb::NmrOneD 137579 Specdb::NmrOneD 137580 Specdb::NmrOneD 137581 Specdb::NmrOneD 137582 Specdb::NmrOneD 137583 Specdb::NmrOneD 137584 Specdb::NmrOneD 137585 Specdb::NmrOneD 137586 Specdb::NmrOneD 137587 Specdb::NmrOneD 137588 Specdb::NmrOneD 137589 Specdb::MsMs 64935 Specdb::MsMs 64936 Specdb::MsMs 64937 Specdb::MsMs 122223 Specdb::MsMs 122224 Specdb::MsMs 122225 Specdb::MsMs 2811323 Specdb::MsMs 2811324 Specdb::MsMs 2811325 Specdb::MsMs 2894252 Specdb::MsMs 2894253 Specdb::MsMs 2894254 HMDB0036938 Apple Type 1 specific Malus pumila 283210 0.1562 0.1562 0.1562 mg/100 g Blackcurrant Type 1 specific Ribes nigrum 78511 1.3 1.299999992 1.299999992 mg/100 g Gooseberry Type 1 specific Ribes uva-crispa 135518 0.3 0.300000012 0.300000012 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 0.325 0.325000008 0.325000008 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0 0.0 0.0 mg/100 g Italian sweet red pepper Type 1 specific Capsicum annuum 4072 0.365 0.36499999 0.36499999 mg/100 g Jostaberry Type 1 specific Ribes × nidigrolaria 3.2 3.200000048 3.200000048 mg/100 g Pepper Type 1 specific Capsicum annuum 4072 0.345 0.36499999 0.325000008 mg/100 g Red bell pepper Type 1 specific Capsicum annuum 4072 0.365 0.36499999 0.36499999 mg/100 g Redcurrant Type 1 specific Ribes rubrum 175228 0.0 0.0 0.0 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.433333 0.433333342 0.433333342 mg/100 g Strawberry Type 1 specific Fragaria X ananassa 3747 0.1 0.100000001 0.100000001 mg/100 g