trans-δ-viniferin glucuronide
Showing entry for trans-δ-viniferin glucuronide
Identification
- PhytoHub ID
- PHUB001556
- Name
- trans-δ-viniferin glucuronide
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 630.602
- Monoisotopic Mass
- 630.173726406
- Chemical Formula
- C34H30O12
- IUPAC Name
- 3-{3-[(1E)-2-[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxyphenoxy}-4,5,6-trihydroxyoxane-2-carboxylic acid
- InChI Key
- DWSXCKPMYYNCMQ-OWOJBTEDNA-N
- InChI Identifier
InChI=1/C34H30O12/c35-20-6-4-18(5-7-20)30-27(19-12-22(37)14-23(38)13-19)25-11-16(3-8-26(25)45-30)1-2-17-9-21(36)15-24(10-17)44-31-28(39)29(40)34(43)46-32(31)33(41)42/h1-15,27-32,34-40,43H,(H,41,42)/b2-1+
- SMILES
OC1OC(C(OC2=CC(O)=CC(\C=C\C3=CC4=C(OC(C4C4=CC(O)=CC(O)=C4)C4=CC=C(O)C=C4)C=C3)=C2)C(O)C1O)C(O)=O
- Structure
Structure for trans-δ-viniferin glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 3.29e-02 g/l
- LogS (ALOGPS)
- -4.28
- LogP (ALOGPS)
- 3.82
- Hydrogen Acceptors
- 12
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 7
- Polar Surface Area
- 206.59999999999997
- Refractivity
- 162.05130000000003
- Polarizability
- 63.84990876848072
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.9456411070156094
- pKa (strongest acidic)
- 3.2009500661083194
- Number of Rings
- 6
- 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 | |
|---|---|---|---|---|
| Viniferin (delta-) | 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)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Viniferin (delta-) | Red wine | Beverages, Alcoholic | Publications | Show | |
| Viniferin (delta-) | rhubarb root | Vegetables, Root vegetables | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Viniferin (delta-) | trans-δ-viniferin glucuronide | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C34H30O12 | 630.173726406 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available