Identification

PhytoHub ID
PHUB000317
Name
Viniferin (delta-)
Synonyms
  • Maximol A
  • trans-Gamma-viniferin
CAS Number
Not Available
Average Mass
454.478
Monoisotopic Mass
454.141638428
Chemical Formula
C28H22O6
IUPAC Name
5-[(2S,3S)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
InChI Key
LILPTCHQLRKZNG-LPGNHZEISA-N
InChI Identifier
InChI=1S/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+/t27-,28+/m0/s1
SMILES
[H][C@@]1(OC2=C(C=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)[C@]1([H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
2.10e-03 g/l
LogS (ALOGPS)
-5.34
LogP (ALOGPS)
4.56
Hydrogen Acceptors
6
Hydrogen Donors
5
Rotatable Bond Count
4
Polar Surface Area
110.38000000000001
Refractivity
130.0395
Polarizability
48.73031284692011
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.89016798744708
pKa (strongest acidic)
8.497816243447565
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Red wineBeverages, Alcoholic PublicationsShow
rhubarb rootVegetables, Root vegetables PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Viniferin (delta-) trans-δ-viniferin glucuronideratplasma, urineC34H30O12630.173726406 Publications
Viniferin (delta-) trans-δ-viniferin sulphateratplasma, urineC28H22O9S534.098453462 Publications
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