precursor metabolite

Showing entry for Piceatannol

Identification

PhytoHub ID
PHUB000320
Name
Piceatannol
Synonyms
  • 3,4,3',5'-Tetrahydroxystilbene
  • Astringinin
CAS Number
Not Available
Average Mass
244.246
Monoisotopic Mass
244.073558866
Chemical Formula
C14H12O4
IUPAC Name
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
InChI Key
CDRPUGZCRXZLFL-OWOJBTEDSA-N
InChI Identifier
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
SMILES
OC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(O)=C1
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
9.70e-02 g/l
LogS (ALOGPS)
-3.40
LogP (ALOGPS)
2.12
Hydrogen Acceptors
4
Hydrogen Donors
4
Rotatable Bond Count
2
Polar Surface Area
80.92
Refractivity
69.4364
Polarizability
25.4586966113363
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.178026138943371
pKa (strongest acidic)
8.405793112852761
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
AlmondNuts PublicationsShow
Apple juiceBeverages, Non-alcoholic PublicationsShow
Black teaTeas and herbal teas PublicationsShow
BlueberryFruit, Berries PublicationsShow
Camomile teaTeas and herbal teas PublicationsShow
Ceylon teaTeas and herbal teasShow
CoffeeCoffee and coffee products PublicationsShow
DeerberryFruit, Berries PublicationsShow
Dessert wineBeverages, Alcoholic PublicationsShow
Garden rhubarbVegetables, Other vegetables PublicationsShow
Grape juiceBeverages, Non-alcoholic PublicationsShow
Green teaTeas and herbal teas PublicationsShow
Peach juiceBeverages, Non-alcoholic PublicationsShow
PomaceFruit, Other fruits PublicationsShow
Red champagneBeverages, Alcoholic PublicationsShow
Red teaTeas and herbal teas PublicationsShow
Red wineBeverages, Alcoholic PublicationsShow
Red wine grapeFruit, Berries PublicationsShow
Rosé wineBeverages, Alcoholic PublicationsShow
Tilia teaTeas and herbal teas PublicationsShow
White champagneBeverages, Alcoholic PublicationsShow
White wineBeverages, Alcoholic PublicationsShow
White wine grapeFruit, Berries PublicationsShow
PrecursorFood SourceFood Source Group
Resveratrol (trans-)Apple juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (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
Resveratrol (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
Resveratrol (trans-)Green teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)Itadori teaTeas and herbal teas PublicationsShow
Resveratrol (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
Resveratrol (trans-)PistachioNuts PublicationsShow
Resveratrol (trans-)PomaceFruit, Other fruits PublicationsShow
Resveratrol (trans-)Red champagneBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)Red grape juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (trans-)Red teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)Red wineBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)Red wine grapeFruit, Berries PublicationsShow
Resveratrol (trans-)Rosé wineBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)SparkleberryFruit, Berries PublicationsShow
Resveratrol (trans-)Tilia teaTeas and herbal teas PublicationsShow
Resveratrol (trans-)TomatoVegetables, Fruit vegetables PublicationsShow
Resveratrol (trans-)White grape juiceBeverages, Non-alcoholic PublicationsShow
Resveratrol (trans-)White wineBeverages, Alcoholic PublicationsShow
Resveratrol (trans-)White wine grapeFruit, Berries PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Piceatannol Rhapontigeninratplasma, urineC15H14O4258.089208931 Publications
Piceatannol Isorhapontigeninratplasma, urineC15H14O4258.089208931 Publications
Piceatannol Piceatannol-diglucuronideratplasma, urineC26H28O16596.1377 Publications
Piceatannol Piceatannol-glucuronidein vitro (human) ratliver, plasma, urineC20H20O10420.1056 Publications
Piceatannol O-methyl piceatannol-monoglucuronideratplasma, urineC21H22O10434.1213 Publications
Piceatannol O-methyl piceatannol-monosulfateratplasma, urineC15H14O7S338.046 Publications
Piceatannol piceatannol-disulfatein vitro (human)liverC14H12O10S2 403.9872 Publications
Piceatannol piceatannol-sulfatein vitro (human)liverC14H12O7S 324.0304 Publications
Resveratrol (trans-) Piceatannolin vitro (human)lymphoblastC14H12O4244.073558866 Publications
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