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
ε-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=CC(O)=CC3=C2[[email protected]]([[email protected]@H](O3)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
Number of Rings
5
Rule of Five
No
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

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

No spectra information available

Food Sources

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

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Viniferin (Epsilon-) ε-viniferin glucuronidein vitro (human) in vitro (rat)hepatocyteshost metabolismNot AvailableNot AvailableNot AvailableC34H30O12630.173726406 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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