resveratrol-3-O-glucuronide
Showing entry for resveratrol-3-O-glucuronide
Identification
- PhytoHub ID
- PHUB001481
- Name
- resveratrol-3-O-glucuronide
- Synonyms
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]oxane-2-car
- trans-resveratrol-3-O-β-D-glucuronide
- CAS Number
- Not Available
- Average Mass
- 404.371
- Monoisotopic Mass
- 404.110732224
- Chemical Formula
- C20H20O9
- IUPAC Name
- 3,4,5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid
- InChI Key
- QWSAYEBSTMCFKY-OWOJBTEDSA-N
- InChI Identifier
InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+
- SMILES
OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 8.29e-01 g/l
- LogS (ALOGPS)
- -2.69
- LogP (ALOGPS)
- 1.31
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 5
- Polar Surface Area
- 156.90999999999997
- Refractivity
- 99.46729999999998
- Polarizability
- 39.91111517508056
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.686826771564462
- pKa (strongest acidic)
- 3.135361544264777
External Links
No external links
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Piceid (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Piceid (trans-) | resveratrol-3-O-glucuronide | human in vitro (human) rat zebrafish | Caco-2 cells, plasma, urine | C20H20O9 | 404.110732224 | Publications |
resveratrol-3-O-glucuronide