Homovanillyl alcohol-4′-O-β-glucuronide
Showing entry for Homovanillyl alcohol-4′-O-β-glucuronide
Identification
- PhytoHub ID
- PHUB002672
- Name
- Homovanillyl alcohol-4′-O-β-glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 344.316
- Monoisotopic Mass
- 344.110732224
- Chemical Formula
- C15H20O9
- IUPAC Name
- Not Available
- InChI Key
- FPHRLHBSOJUFOE-XIPBYXJENA-N
- InChI Identifier
InChI=1/C15H20O9/c1-22-9-6-7(4-5-16)2-3-8(9)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-3,6,10-13,15-19H,4-5H2,1H3,(H,20,21)/t10-,11-,12+,13-,15+/s2
- SMILES
[H][C@@]1(OC2=C(OC)C=C(CCO)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
- Structure
Structure for Homovanillyl alcohol-4′-O-β-glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 1.12e+01 g/l
- LogS (ALOGPS)
- -1.49
- LogP (ALOGPS)
- -0.83
- 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
No external links
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Phenolic acid metabolites
- Sub-class
- Phenylacetic acids
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Homovanillyl alcohol | Polyphenols | Miscellaneous polyphenols | Not Available | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Homovanillyl alcohol | Olive oil | Fats and oils | Publications | Show | |
| Homovanillyl alcohol | Olive, green | Fruit, Drupes | Publications | Show |
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Homovanillyl alcohol | Homovanillyl alcohol-4′-O-β-glucuronide | human | urine | host metabolism | Not Available | Not Available | 10-30% | C15H20O9 | 344.110732224 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|