precursor

Showing entry for Viniferin (cis-Epsilon-)

Identification

PhytoHub ID
PHUB000338
Name
Viniferin (cis-Epsilon-)
Synonyms
  • (-)-epsilon-Viniferin
  • Iso-[epsilon]-viniferin
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-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
InChI Key
FQWLMRXWKZGLFI-HQAJZZHBSA-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
MOLSDF3D-SDFPDBSMILESInChI View 3D 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
130.03950000000003
Polarizability
47.71513840650023
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.905960186217036
pKa (strongest acidic)
8.781727413567006
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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

Metabolism

No metabolism information available

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