trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide
Showing entry for trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide
Identification
- PhytoHub ID
- PHUB001531
- Name
- trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 580.495
- Monoisotopic Mass
- 580.142820202
- Chemical Formula
- C26H28O15
- IUPAC Name
- 6-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl}-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- ZUHUOLQQDUSSHQ-DAFODLJHNA-N
- InChI Identifier
InChI=1/C26H28O15/c27-11-5-2-9(3-6-11)1-4-10-7-12(39-26-20(34)16(30)19(33)23(41-26)25(37)38)8-13(28)14(10)21-17(31)15(29)18(32)22(40-21)24(35)36/h1-8,15-23,26-34H,(H,35,36)(H,37,38)/b4-1+
- SMILES
OC1C(OC2=CC(O)=C(C3OC(C(O)C(O)C3O)C(O)=O)C(\C=C\C3=CC=C(O)C=C3)=C2)OC(C(O)C1O)C(O)=O
- Structure
Structure for trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide
Calculated Properties
- Solubility (ALOGPS)
- 2.14e+00 g/l
- LogS (ALOGPS)
- -2.43
- LogP (ALOGPS)
- 0.47
- Hydrogen Acceptors
- 15
- Hydrogen Donors
- 10
- Rotatable Bond Count
- 7
- Polar Surface Area
- 264.12999999999994
- Refractivity
- 132.453
- Polarizability
- 55.054798039108576
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.731998649753501
- pKa (strongest acidic)
- 2.750966006615516
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
No external links
Taxonomy as Metabolite
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Piceid (trans-) | Polyphenols | Stilbenes | Not Available | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Piceid (trans-) | trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C26H28O15 | 580.142820202 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available