Identification

PhytoHub ID
PHUB000317
Name
Viniferin (delta-)
Systematic Name
Not Available
Synonyms
  • Maximol A
  • trans-Gamma-viniferin
CAS Number
Not Available
Average Mass
454.478
Monoisotopic Mass
454.141638428
Chemical Formula
C28H22O6
IUPAC Name
(2S,3S)-trans-delta-viniferin
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][[email protected]@]1(OC2=C(C=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)[[email protected]]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
48.50492912098958
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.89016798744708
pKa (strongest acidic)
8.497816243447565
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", "Benzofurans", "Hydrocarbon derivatives", "Lignans, neolignans and related compounds", "Linear diarylheptanoids", "Oxacyclic compounds", "Resorcinols", "Stilbenes", "Styrenes"]
External Descriptor Annotations
["1-benzofurans", "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", "Benzofuran", "Coumaran", "Ether", "Hydrocarbon derivative", "Linear 1,7-diphenylheptane skeleton", "Monocyclic benzene moiety", "Neolignan skeleton", "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

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Viniferin (delta-) trans-δ-viniferin glucuronideratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC34H30O12630.173726406 Publications
Viniferin (delta-) trans-δ-viniferin sulphateratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC28H22O9S534.098453462 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

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