Identification

PhytoHub ID
PHUB000320
Name
Piceatannol
Systematic Name
Not Available
Synonyms
  • 3,4,3',5'-Tetrahydroxystilbene
  • Astringinin
CAS Number
Not Available
Average Mass
244.246
Monoisotopic Mass
244.073558866
Chemical Formula
C14H12O4
IUPAC Name
piceatannol
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

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
25.444283237993353
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-6.17802613894337
pKa (strongest acidic)
8.405793112852761
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Stilbenes
Super-class
Phenylpropanoids and polyketides
Sub-class
Not Available
Direct Parent Name
Stilbenes
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Catechols", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols", "Styrenes"]
External Descriptor Annotations
["Diphenyl ethers, biphenyls, dibenzyls and stilbenes", "Stilbenes", "stilbenol"]
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Catechol", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene", "Styrene"]

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

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Piceatannol Rhapontigeninratplasma, urinehost metabolismC15H14O4258.089208931 Publications
Piceatannol Isorhapontigeninratplasma, urinehost metabolismC15H14O4258.089208931 Publications
Piceatannol Piceatannol-diglucuronideratplasma, urinehost metabolismC26H28O16596.1377 Publications
Piceatannol Piceatannol-glucuronidein vitro (human) ratliver, plasma, urinehost metabolismC20H20O10420.1056 Publications
Piceatannol O-methyl piceatannol-monoglucuronideratplasma, urinehost metabolismC21H22O10434.1213 Publications
Piceatannol O-methyl piceatannol-monosulfateratplasma, urinehost metabolismC15H14O7S338.046 Publications
Piceatannol piceatannol-disulfatein vitro (human)liverhost metabolismC14H12O10S2 403.9872 Publications
Piceatannol piceatannol-sulfatein vitro (human)liverhost metabolismC14H12O7S 324.0304 Publications
Resveratrol (trans-) Piceatannolin vitro (human)lymphoblasthost metabolismC14H12O4244.073558866 Publications
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