Identification

PhytoHub ID
PHUB001487
Name
trans-Resveratrol-3,4′-disulfate
Synonyms
Not Available
CAS Number
Not Available
Average Mass
388.37
Monoisotopic Mass
387.992273362
Chemical Formula
C14H12O9S2
IUPAC Name
{3-hydroxy-5-[(E)-2-[4-(sulfooxy)phenyl]ethenyl]phenyl}oxidanesulfonic acid
InChI Key
DHYDAGFKCXRMSL-OWOJBTEDSA-N
InChI Identifier
InChI=1S/C14H12O9S2/c15-12-7-11(8-14(9-12)23-25(19,20)21)2-1-10-3-5-13(6-4-10)22-24(16,17)18/h1-9,15H,(H,16,17,18)(H,19,20,21)/b2-1+
SMILES
OC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
6.74e-02 g/l
LogS (ALOGPS)
-3.76
LogP (ALOGPS)
-0.87
Hydrogen Acceptors
7
Hydrogen Donors
3
Rotatable Bond Count
6
Polar Surface Area
147.42999999999998
Refractivity
87.43909999999997
Polarizability
35.58952782902455
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
-6.542670022098982
pKa (strongest acidic)
-2.4935105256868786
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Resveratrol (trans-)PolyphenolsStilbenesNot AvailableShow Precursor
Piceid (trans-)PolyphenolsStilbenesNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
Piceid (trans-)AlmondNuts PublicationsShow
Piceid (trans-)AppleFruit, Pomes PublicationsShow
Resveratrol (trans-)Apple juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (trans-)BeerBeverages, Alcoholic PublicationsShow
Piceid (trans-)BeerBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)BilberryFruit, Berries PublicationsShow
Resveratrol (trans-)Black teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)BlueberryFruit, Berries PublicationsShow
Resveratrol (trans-)Camomile teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)Ceylon teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)ChocolateCocoa and cocoa products PublicationsShow
Piceid (trans-)ChocolateCocoa and cocoa products PublicationsShow
Resveratrol (trans-)Cocoa liquorCocoa and cocoa products PublicationsShow
Piceid (trans-)Cocoa liquorCocoa and cocoa products PublicationsShow
Resveratrol (trans-)CoffeeCoffee and coffee products PublicationsShow
Resveratrol (trans-)CranberryFruit, Berries PublicationsShow
Resveratrol (trans-)Cranberry juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (trans-)DeerberryFruit, Berries PublicationsShow
Resveratrol (trans-)Dessert wineBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)European cranberryFruit, Berries PublicationsShow
Piceid (trans-)Garden rhubarbVegetables, Other vegetables PublicationsShow
Resveratrol (trans-)Green teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)Itadori teaTeas and herbal teas PublicationsShow
Piceid (trans-)Itadori teaTeas and herbal teas PublicationsShow
Piceid (trans-)Lentil coatPulses and beans PublicationsShow
Resveratrol (trans-)LingonberryFruit, Berries PublicationsShow
Piceid (trans-)LingonberryFruit, Berries PublicationsShow
Resveratrol (trans-)MulberryFruit, Berries PublicationsShow
Resveratrol (trans-)Partridge berryFruit, Berries PublicationsShow
Resveratrol (trans-)Peach juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (trans-)PeanutNuts PublicationsShow
Piceid (trans-)PeanutNuts PublicationsShow
Resveratrol (trans-)PistachioNuts PublicationsShow
Piceid (trans-)PistachioNuts PublicationsShow
Resveratrol (trans-)PomaceFruit, Other fruits PublicationsShow
Piceid (trans-)PomaceFruit, Other fruits PublicationsShow
Resveratrol (trans-)Red champagneBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)Red grape juiceBeverages, Non-alcoholic PublicationsShow
Piceid (trans-)Red grape juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (trans-)Red teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)Red wineBeverages, Alcoholic PublicationsShow
Piceid (trans-)Red wineBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)Red wine grapeFruit, Berries PublicationsShow
Resveratrol (trans-)Rosé wineBeverages, Alcoholic PublicationsShow
Piceid (trans-)Rosé wineBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)SparkleberryFruit, Berries PublicationsShow
Piceid (trans-)StrawberryFruit, Berries PublicationsShow
Resveratrol (trans-)Tilia teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)TomatoVegetables, Fruit vegetables PublicationsShow
Piceid (trans-)TomatoVegetables, Fruit vegetables PublicationsShow
Resveratrol (trans-)White grape juiceBeverages, Non-alcoholic PublicationsShow
Piceid (trans-)White grape juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (trans-)White wineBeverages, Alcoholic PublicationsShow
Piceid (trans-)White wineBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)White wine grapeFruit, Berries PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Resveratrol (trans-) trans-Resveratrol-3,4′-disulfateratfaeces, liver, plasma, urineC14H12O9S2387.992273362 Publications
Piceid (trans-) trans-Resveratrol-3,4′-disulfatehumanplasma, urineC14H12O9S2387.992273362 Publications
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