Identification

PhytoHub ID
PHUB001556
Name
trans-δ-viniferin glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
630.602
Monoisotopic Mass
630.173726406
Chemical Formula
C34H30O12
IUPAC Name
3-{3-[(E)-2-[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxyphenoxy}-4,5,6-trihydroxyoxane-2-carboxylic acid
InChI Key
DWSXCKPMYYNCMQ-OWOJBTEDSA-N
InChI Identifier
InChI=1S/C34H30O12/c35-20-6-4-18(5-7-20)30-27(19-12-22(37)14-23(38)13-19)25-11-16(3-8-26(25)45-30)1-2-17-9-21(36)15-24(10-17)44-31-28(39)29(40)34(43)46-32(31)33(41)42/h1-15,27-32,34-40,43H,(H,41,42)/b2-1+
SMILES
OC1OC(C(OC2=CC(O)=CC(\C=C\C3=CC4=C(OC(C4C4=CC(O)=CC(O)=C4)C4=CC=C(O)C=C4)C=C3)=C2)C(O)C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
3.29e-02 g/l
LogS (ALOGPS)
-4.28
LogP (ALOGPS)
3.82
Hydrogen Acceptors
12
Hydrogen Donors
8
Rotatable Bond Count
7
Polar Surface Area
206.59999999999997
Refractivity
162.05130000000003
Polarizability
63.84990876848072
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.945641107015608
pKa (strongest acidic)
3.2009500661083194
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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 glucuronideratplasma, urineC34H30O12630.173726406 Publications
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