Identification

PhytoHub ID
PHUB001434
Name
Dihydroisoferulic acid-3'-glucuronide
Systematic Name
3-(4'-methoxyphenyl)propanoic acid-3'-glucuronide
Synonyms
  • 3-(4-methoxyphenyl)propanoic acid-3-glucuronide
  • 3-(4'-Methoxyphenyl)propionic acid-3'-O-glucuronide
  • Dihydroisoferulic acid-3'-glucuronide
  • Dihydroisoferulic acid-3'-O-glucuronide
CAS Number
Not Available
Average Mass
370.31
Monoisotopic Mass
370.08999678
Chemical Formula
C16H18O10
IUPAC Name
Not Available
InChI Key
SYLIYWIQUHQCPY-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C16H20O9/c1-7-2-3-8(4-5-10(17)18)6-9(7)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h2-3,6,11-14,16,19-21H,4-5H2,1H3,(H,17,18)(H,22,23)
SMILES
COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(\C=C\C(O)=O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
(Poly)phenol metabolites
Class
Phenolic acid metabolites
Sub-class
Phenylpropanoic acids

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
Coffee hydroxycinnamatesPolyphenolsFlavonoidsHydroxycinnamic acidsShow Food Phytochemical
HesperetinPolyphenolsFlavonoidsFlavanonesShow Food Phytochemical
Caffeic acidPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Food Phytochemical
Orange flavanonesPolyphenolsFlavonoidsFlavanonesShow Food Phytochemical
Coffee Chlorogenic acidsPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Food Phytochemical
Yerba mate Chlorogenic acidsPolyphenolsPhenolic acidsHydroxycinnamic acidsShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Coffee hydroxycinnamates Dihydroisoferulic acid-3'-glucuronidehumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC16H18O10370.08999678 Publications
Hesperetin Dihydroisoferulic acid-3'-glucuronidehumanplasma, urinehost-gut microbiota co-metaboliteNot AvailableNot AvailableNot AvailableC16H18O10370.08999678 Publications
Caffeic acid Dihydroisoferulic acid-3'-glucuronidehumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC16H18O10370.08999678 Publications
Orange flavanones Dihydroisoferulic acid-3'-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h<20 nmol/L1-5%C16H18O10370.08999678 Detailed Intervention Studies Publications
Coffee Chlorogenic acids Dihydroisoferulic acid-3'-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h20-50 nmol/L<1%C16H18O10370.08999678 Detailed Intervention Studies Publications
Yerba mate Chlorogenic acids Dihydroisoferulic acid-3'-glucuronidehumanplasma, urinehost-gut microbiota co-metabolite5h-8h20-50 nmol/L<1%C16H18O10370.08999678 Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Coffee Chlorogenic acids Dihydroisoferulic acid-3'-glucuronideMicrobiotaEffect, clusters Publications
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