Showing entry for trans-Resveratrol-4′-O-glucuronide
Identification
- PhytoHub ID
- PHUB001483
- Name
- trans-Resveratrol-4′-O-glucuronide
- Synonyms
- Resveratrol-4′-O-glucuronide
- CAS Number
- Not Available
- Average Mass
- 404.371
- Monoisotopic Mass
- 404.110732224
- Chemical Formula
- C20H20O9
- IUPAC Name
- 6-{4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- CDEBVTGYVFHDMA-OWOJBTEDSA-N
- InChI Identifier
InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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=C\C3=CC(O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 7.31e-01 g/l
- LogS (ALOGPS)
- -2.74
- LogP (ALOGPS)
- 1.44
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 6
- Rotatable Bond Count
- 5
- Polar Surface Area
- 156.90999999999997
- Refractivity
- 99.46729999999998
- Polarizability
- 40.276851954851296
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.686826761383319
- pKa (strongest acidic)
- 3.2601831178039555
External Links
No external links
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Resveratrol (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Piceid (trans-) | Polyphenols | Stilbenes | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Resveratrol (trans-) | trans-Resveratrol-4′-O-glucuronide | human pig zebrafish | colorectal tissue, LDL, plasma, urine | C20H20O9 | 404.110732224 | Publications | ||
Piceid (trans-) | trans-Resveratrol-4′-O-glucuronide | human in vitro (human) | Caco-2 cells, liver, plasma, urine | C20H20O9 | 404.110732224 | Publications |