Viniferin (Epsilon-)
precursor
Showing entry for Viniferin (Epsilon-)
Identification
- PhytoHub ID
- PHUB000318
- Name
- Viniferin (Epsilon-)
- Systematic Name
- Not Available
- Synonyms
- Epsilon-viniferin
- Viniferin (Epsilon-)
- CAS Number
- Not Available
- Average Mass
- 454.478
- Monoisotopic Mass
- 454.141638428
- Chemical Formula
- C28H22O6
- IUPAC Name
- 5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
- InChI Key
- FQWLMRXWKZGLFI-YVYUXZJTSA-N
- InChI Identifier
InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1
- SMILES
OC1=CC=C(\C=C\C2=CC(O)=CC3=C2[[email protected]]([C@@H](O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1
- Structure
Structure for Viniferin (Epsilon-)
Calculated Properties
- Solubility (ALOGPS)
- 2.39e-03 g/l
- LogS (ALOGPS)
- -5.28
- LogP (ALOGPS)
- 4.52
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 4
- Polar Surface Area
- 110.38000000000001
- Refractivity
- 130.03949999999998
- Polarizability
- 47.96417494629086
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.905960186217109
- pKa (strongest acidic)
- 8.507385040783499
- Number of Rings
- 5
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- 2-arylbenzofuran flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- 2-arylbenzofuran flavonoids
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "1-phenylcoumarans", "Alkyl aryl ethers", "Hydrocarbon derivatives", "Oxacyclic compounds", "Resorcinols", "Stilbenes", "Styrenes"]
- External Descriptor Annotations
- ["1-benzofurans", "Stilbenoid dimers, stilbenoid oligomers and bis(bibenzyl)s", "polyphenol", "stilbenoid"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "1-phenylcoumaran", "2-arylbenzofuran flavonoid", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "Benzenoid", "Coumaran", "Ether", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Resorcinol", "Stilbene", "Styrene"]
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Red wine | Beverages, Alcoholic | Publications | Show | |
| rhubarb root | Vegetables, Root vegetables | Publications | Show | |
| Rosé wine | Beverages, Alcoholic | Publications | Show | |
| White wine | Beverages, Alcoholic | 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 (Epsilon-) | ε-viniferin glucuronide | in vitro (human) in vitro (rat) | hepatocytes | host metabolism | Not Available | Not Available | Not Available | C34H30O12 | 630.173726406 | Publications |
Inter-Individual Variations Metabolism
No data on inter-individual variations available