precursor

Showing entry for Pterostilbene

Identification

PhytoHub ID
PHUB000323
Name
Pterostilbene
Synonyms
  • 3,5-Dimethyl-resveratrol
CAS Number
Not Available
Average Mass
256.301
Monoisotopic Mass
256.109944375
Chemical Formula
C16H16O3
IUPAC Name
pterostilbene
InChI Key
VLEUZFDZJKSGMX-ONEGZZNKSA-N
InChI Identifier
InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
SMILES
COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(OC)=C1
Structure
MOLSDFPDBSMILESInChI

Calculated Properties

Solubility (ALOGPS)
1.10e-02 g/l
LogS (ALOGPS)
-4.37
LogP (ALOGPS)
3.48
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
4
Polar Surface Area
38.69
Refractivity
76.42010000000002
Polarizability
28.711777794043
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.537862421035583
pKa (strongest acidic)
8.996137408896729
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
BlueberryFruit, Berries PublicationsShow
CoffeeCoffee and coffee products PublicationsShow
DeerberryFruit, Berries PublicationsShow
Grape juiceBeverages, Non-alcoholic PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow
Green teaTeas and herbal teas PublicationsShow
Red champagneBeverages, Alcoholic PublicationsShow
Red wineBeverages, Alcoholic PublicationsShow
White champagneBeverages, Alcoholic PublicationsShow
White wineBeverages, Alcoholic PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Pterostilbene Pterostilbene-glucuronidein vitro (rat) mouseliver, urineC22H24O9432.142032353 Publications
Pterostilbene Pterostilbene sulfatemouse ratplasma, urineC16H16O6S336.066759409 Publications
Pterostilbene Mono-demethylated pterostilbenemouseurineC15H14O3242.094294311 Publications
Pterostilbene Mono-demethylated pterostilbene glucuronidemouseurineC21H22O9418.126382288 Publications
Pterostilbene Mono-demethylated pterostilbene sulfatemouseurineC15H14O6S322.051109345 Publications
Pterostilbene Mono-hydroxylated pterostilbenemouseurineC16H16O4272.104858995 Publications
Pterostilbene Mono-hydroxylated pterostilbene glucuronidemouseurineC22H24O10448.136946973 Publications
Pterostilbene Mono-hydroxylated pterostilbene sulfatemouseurineC16H16O7S352.061674029 Publications
Pterostilbene Mono-hydroxylated pterostilbene glucuronide sulfatemouseurineC22H24O13S528.0938 Publications
Pterostilbene Pinostilbenemousecolon tissue, colonic contentC15H14O3242.094294311 Publications
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