Identification

PhytoHub ID
PHUB001555
Name
ε-viniferin glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
630.602
Monoisotopic Mass
630.173726406
Chemical Formula
C34H30O12
IUPAC Name
6-{4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI Key
ZPGHQJUJOJIYAV-DAFODLJHSA-N
InChI Identifier
InChI=1S/C34H30O12/c35-20-7-2-16(3-8-20)1-4-18-11-23(38)15-25-26(18)27(19-12-21(36)14-22(37)13-19)31(45-25)17-5-9-24(10-6-17)44-34-30(41)28(39)29(40)32(46-34)33(42)43/h1-15,27-32,34-41H,(H,42,43)/b4-1+
SMILES
OC1C(OC2=CC=C(C=C2)C2OC3=C(C2C2=CC(O)=CC(O)=C2)C(\C=C\C2=CC=C(O)C=C2)=CC(O)=C3)OC(C(O)C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
3.55e-02 g/l
LogS (ALOGPS)
-4.25
LogP (ALOGPS)
3.77
Hydrogen Acceptors
12
Hydrogen Donors
8
Rotatable Bond Count
7
Polar Surface Area
206.59999999999997
Refractivity
162.0513000000001
Polarizability
63.06541356868912
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.7319986496737174
pKa (strongest acidic)
3.21302024818597
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Viniferin (Epsilon-)PolyphenolsStilbenesNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Viniferin (Epsilon-) ε-viniferin glucuronidein vitro (human) in vitro (rat)hepatocytesC34H30O12630.173726406 Publications
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