Identification

PhytoHub ID
PHUB000328
Name
Isorhapontigenin
Systematic Name
Not Available
Synonyms
  • 4,3′,5′-Trihydroxy-3-methoxystilbene
  • ISOR
CAS Number
Not Available
Average Mass
258.273
Monoisotopic Mass
258.089208931
Chemical Formula
C15H14O4
IUPAC Name
5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
InChI Key
ANNNBEZJTNCXHY-NSCUHMNNSA-N
InChI Identifier
InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
SMILES
COC1=C(O)C=CC(\C=C\C2=CC(O)=CC(O)=C2)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
4.66e-02 g/l
LogS (ALOGPS)
-3.74
LogP (ALOGPS)
2.64
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
69.92
Refractivity
73.9187
Polarizability
27.477170816306103
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.893862070232189
pKa (strongest acidic)
8.594213648115653
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Taxonomy as Metabolite

Metabolite Family
(Poly)phenol metabolites
Metabolite Class
Stilbene metabolites
Metabolite Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
PiceatannolPolyphenolsStilbenesNot AvailableShow Food Phytochemical
IsorhapontigeninPolyphenolsStilbenesNot AvailableShow Food Phytochemical

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", "Alkyl aryl ethers", "Anisoles", "Hydrocarbon derivatives", "Methoxybenzenes", "Methoxyphenols", "Phenoxy compounds", "Resorcinols", "Styrenes"]
External Descriptor Annotations
Not Available
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Benzenoid", "Ether", "Hydrocarbon derivative", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Phenol ether", "Phenoxy compound", "Resorcinol", "Stilbene", "Styrene"]

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Garden rhubarbVegetables, Other vegetables PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
PiceatannolAlmondNuts PublicationsShow
PiceatannolApple juiceBeverages, Non-alcoholic PublicationsShow
PiceatannolBlack teaTeas and herbal teas PublicationsShow
PiceatannolBlueberryFruit, Berries PublicationsShow
PiceatannolCamomile teaTeas and herbal teas PublicationsShow
PiceatannolCeylon teaTeas and herbal teasShow
PiceatannolCoffeeCoffee and coffee products PublicationsShow
PiceatannolDeerberryFruit, Berries PublicationsShow
PiceatannolDessert wineBeverages, Alcoholic PublicationsShow
PiceatannolGarden rhubarbVegetables, Other vegetables PublicationsShow
IsorhapontigeninGarden rhubarbVegetables, Other vegetables PublicationsShow
PiceatannolGrape juiceBeverages, Non-alcoholic PublicationsShow
IsorhapontigeninGrape wineBeverages, Alcoholic PublicationsShow
PiceatannolGreen teaTeas and herbal teas PublicationsShow
PiceatannolPeach juiceBeverages, Non-alcoholic PublicationsShow
PiceatannolPomaceFruit, Other fruits PublicationsShow
PiceatannolRed champagneBeverages, Alcoholic PublicationsShow
PiceatannolRed teaTeas and herbal teas PublicationsShow
PiceatannolRed wineBeverages, Alcoholic PublicationsShow
PiceatannolRed wine grapeBeverages, Alcoholic PublicationsShow
PiceatannolRosé wineBeverages, Alcoholic PublicationsShow
PiceatannolTilia teaTeas and herbal teas PublicationsShow
PiceatannolWhite champagneBeverages, Alcoholic PublicationsShow
PiceatannolWhite wineBeverages, Alcoholic PublicationsShow
PiceatannolWhite wine grapeFruit, Berries PublicationsShow
PiceatannolrhubarbVegetables, Other vegetables PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Isorhapontigenin Isorhapontigeninhumanplasmaunchanged5h-8h200-500 nmol/LNot AvailableC15H14O4258.089208931 Publications
Piceatannol Isorhapontigeninratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC15H14O4258.089208931 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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