4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide
Showing entry for 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide
Identification
- PhytoHub ID
- PHUB002238
- Name
- 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide
- Systematic Name
- 4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-3'-glucuronide
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 402.352
- Monoisotopic Mass
- 402.116211528
- Chemical Formula
- C17H22O11
- IUPAC Name
- Not Available
- InChI Key
- BKJQCPDRWDNBIN-NMKWKLTFNA-N
- InChI Identifier
InChI=1/C17H22O11/c18-8(2-4-11(20)21)5-7-1-3-9(19)10(6-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-19,22-24H,2,4-5H2,(H,20,21)(H,25,26)/t8-,12?,13?,14?,15?,17?/s2
- SMILES
O[C@H](CCC(O)=O)CC1=CC=C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)=C1
- Structure
Structure for 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide
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
No external links
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Apple Flavan-3-ols | 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide | human | urine | host-gut microbiota co-metabolite | Not Available | Not Available | <1% | C17H22O11 | 402.116211528 | Detailed Intervention Studies | Publications | ||
| Cocoa Flavan-3-ols | 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C17H22O11 | 402.116211528 | Detailed Intervention Studies | |||
| (-)-Epicatechin | 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide | human | urine | host-gut microbiota co-metabolite | Not Available | Not Available | <1% | C17H22O11 | 402.116211528 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Apple Flavan-3-ols | 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide | Microbiota | Effect, clusters | Publications | ||
| (-)-Epicatechin | 4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide | Microbiota | Effect, clusters | Publications |