Dihydroisoferulic acid-3'-glucuronide
Showing entry for Dihydroisoferulic acid-3'-glucuronide
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
External Links
- PubChem
- 49844035
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Phenolic acid metabolites
- Sub-class
- Phenylpropanoic acids
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Coffee hydroxycinnamates | Polyphenols | Flavonoids | Hydroxycinnamic acids | Show Food Phytochemical |
Hesperetin | Polyphenols | Flavonoids | Flavanones | Show Food Phytochemical |
Caffeic acid | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Show Food Phytochemical |
Orange flavanones | Polyphenols | Flavonoids | Flavanones | Show Food Phytochemical |
Coffee Chlorogenic acids | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Show Food Phytochemical |
Yerba mate Chlorogenic acids | Polyphenols | Phenolic acids | Hydroxycinnamic acids | Show 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 Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coffee hydroxycinnamates | Dihydroisoferulic acid-3'-glucuronide | human | plasma | host metabolism | Not Available | Not Available | Not Available | C16H18O10 | 370.08999678 | Publications | |||
Hesperetin | Dihydroisoferulic acid-3'-glucuronide | human | plasma, urine | host-gut microbiota co-metabolite | Not Available | Not Available | Not Available | C16H18O10 | 370.08999678 | Publications | |||
Caffeic acid | Dihydroisoferulic acid-3'-glucuronide | human | plasma | host metabolism | Not Available | Not Available | Not Available | C16H18O10 | 370.08999678 | Publications | |||
Orange flavanones | Dihydroisoferulic acid-3'-glucuronide | human | plasma, urine | host-gut microbiota co-metabolite | 5h-8h | <20 nmol/L | 1-5% | C16H18O10 | 370.08999678 | Detailed Intervention Studies | Publications | ||
Coffee Chlorogenic acids | Dihydroisoferulic acid-3'-glucuronide | human | plasma, urine | host-gut microbiota co-metabolite | 5h-8h | 20-50 nmol/L | <1% | C16H18O10 | 370.08999678 | Detailed Intervention Studies | Publications | ||
Yerba mate Chlorogenic acids | Dihydroisoferulic acid-3'-glucuronide | human | plasma, urine | host-gut microbiota co-metabolite | 5h-8h | 20-50 nmol/L | <1% | C16H18O10 | 370.08999678 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value | |||
---|---|---|---|---|---|---|
Coffee Chlorogenic acids | Dihydroisoferulic acid-3'-glucuronide | Microbiota | Effect, clusters | Publications |