trans-δ-viniferin sulfate
Showing entry for trans-δ-viniferin sulfate
Identification
- PhytoHub ID
- PHUB001557
- Name
- trans-δ-viniferin sulfate
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 534.54
- Monoisotopic Mass
- 534.098453462
- Chemical Formula
- C28H22O9S
- IUPAC Name
- {4-[3-(3,5-dihydroxyphenyl)-5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenyl}oxidanesulfonic acid
- InChI Key
- BMUBZEMVELTGGS-OWOJBTEDSA-N
- InChI Identifier
InChI=1S/C28H22O9S/c29-20-9-17(10-21(30)14-20)2-1-16-3-8-26-25(11-16)27(19-12-22(31)15-23(32)13-19)28(36-26)18-4-6-24(7-5-18)37-38(33,34)35/h1-15,27-32H,(H,33,34,35)/b2-1+
- SMILES
OC1=CC(\C=C\C2=CC3=C(OC(C3C3=CC(O)=CC(O)=C3)C3=CC=C(OS(O)(=O)=O)C=C3)C=C2)=CC(O)=C1
- Structure
Structure for trans-δ-viniferin sulfate
Calculated Properties
- Solubility (ALOGPS)
- 8.72e-03 g/l
- LogS (ALOGPS)
- -4.79
- LogP (ALOGPS)
- 2.82
- Hydrogen Acceptors
- 8
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 6
- Polar Surface Area
- 153.75
- Refractivity
- 140.0313
- Polarizability
- 54.08100783345811
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.891859497111906
- pKa (strongest acidic)
- -2.2391012264781636
- Number of Rings
- 5
- 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
- (Poly)phenol metabolites
- Class
- Stilbene metabolites
- 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 sulfate | rat | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C28H22O9S | 534.098453462 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|