Identification

PhytoHub ID
PHUB001514
Name
Pterostilbene-glucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
432.425
Monoisotopic Mass
432.142032353
Chemical Formula
C22H24O9
IUPAC Name
Not Available
InChI Key
QMAWHLGOYBNGRJ-ONEGZZNKSA-N
InChI Identifier
InChI=1S/C22H24O9/c1-28-15-9-13(10-16(11-15)29-2)4-3-12-5-7-14(8-6-12)30-22-19(25)17(23)18(24)20(31-22)21(26)27/h3-11,17-20,22-25H,1-2H3,(H,26,27)/b4-3+
SMILES
COC1=CC(\C=C\C2=CC=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2)=CC(OC)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
9
Hydrogen Donors
4
Rotatable Bond Count
7
Polar Surface Area
134.91
Refractivity
108.4319
Polarizability
44.49141950487268
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.686826761383319
pKa (strongest acidic)
3.2601845979084745
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Precursor Taxonomy

PrecursorFamilyClassSub-class
PterostilbenePolyphenolsStilbenesNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Pterostilbene Pterostilbene-glucuronidein vitro (rat) mouseliver, urineC22H24O9432.142032353 Publications
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