Identification

PhytoHub ID
PHUB001557
Name
trans-δ-viniferin sulphate
Synonyms
Not Available
CAS Number
Not Available
Average Mass
534.54
Monoisotopic Mass
534.098453462
Chemical Formula
C28H22O9S
IUPAC Name
{4-[3-(3,5-dihydroxyphenyl)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenyl}oxidanesulfonic acid
InChI Key
BMUBZEMVELTGGS-OWOJBTEDSA-N
InChI Identifier
InChI=1S/C28H22O9S/c29-20-9-17(10-21(30)14-20)2-1-16-3-8-26-25(11-16)27(19-12-22(31)15-23(32)13-19)28(36-26)18-4-6-24(7-5-18)37-38(33,34)35/h1-15,27-32H,(H,33,34,35)/b2-1+
SMILES
OC1=CC(\C=C\C2=CC3=C(OC(C3C3=CC(O)=CC(O)=C3)C3=CC=C(OS(O)(=O)=O)C=C3)C=C2)=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
8.72e-03 g/l
LogS (ALOGPS)
-4.79
LogP (ALOGPS)
2.82
Hydrogen Acceptors
8
Hydrogen Donors
5
Rotatable Bond Count
6
Polar Surface Area
153.75
Refractivity
140.0313
Polarizability
54.08100783345811
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-4.891859497111906
pKa (strongest acidic)
-2.239101226478163
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Viniferin (delta-)PolyphenolsStilbenesNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
Viniferin (delta-)Red wineBeverages, Alcoholic PublicationsShow
Viniferin (delta-)rhubarb rootVegetables, Root vegetables PublicationsShow

Metabolism

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