precursor
Showing entry for Viniferin (Epsilon-)
Identification
- PhytoHub ID
- PHUB000318
- Name
- Viniferin (Epsilon-)
- Synonyms
- Epsilon-viniferin
- Viniferin (Epsilon-)
- CAS Number
- Not Available
- Average Mass
- 454.478
- Monoisotopic Mass
- 454.141638428
- Chemical Formula
- C28H22O6
- IUPAC Name
- epsilon-viniferin
- 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=C3[C@H]([C@@H](OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1
- Structure
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
Taxonomy
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Spectra
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 |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Viniferin (Epsilon-) | ε-viniferin glucuronide | in vitro (human) in vitro (rat) | hepatocytes | C34H30O12 | 630.173726406 | Publications |