precursor metabolite

Showing entry for Rhapontigenin

Identification

PhytoHub ID
PHUB000327
Name
Rhapontigenin
Systematic Name
Not Available
Synonyms
  • 3,3′,5′-Trihydroxy-4-methoxystilbene
  • RHA
CAS Number
500-65-2
Average Mass
258.273
Monoisotopic Mass
258.089208931
Chemical Formula
C15H14O4
IUPAC Name
5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol
InChI Key
PHMHDRYYFAYWEG-NSCUHMNNSA-N
InChI Identifier
InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
SMILES
O(C1=C(O)C=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1)C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
4.82e-02 g/l
LogS (ALOGPS)
-3.73
LogP (ALOGPS)
2.64
Hydrogen Acceptors
4
Hydrogen Donors
3
Rotatable Bond Count
3
Polar Surface Area
69.92
Refractivity
73.91870000000002
Polarizability
27.519496068488582
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.888843867498496
pKa (strongest acidic)
8.575874343536256
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

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 Phytohub

Spectrum TypeInstrument TypeTechnologyIon ModeCollision EnergyView
Predicted GC-MSGC-MSPredicted by CFMID-EI, energy0PositiveNot AvailableView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDPositive10VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDPositive20VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDPositive40VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDNegative10VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDNegative20VView Spectrum
Predicted LC-MS/MSNot AvailablePredicted by CFM-IDNegative40VView Spectrum

Food Sources

NameGroup
Garden rhubarbVegetables, Other vegetables PublicationsShow
rhubarbVegetables, Other vegetables 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
PiceatannolGrape juiceBeverages, Non-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
Rhapontigenin rhapontigenin glucuronidein vitro (rat) ratliver, plasmahost metabolismNot AvailableNot AvailableNot AvailableC21H22O10 434.1213 Publications
Piceatannol Rhapontigeninratplasma, urinehost metabolismNot AvailableNot AvailableNot AvailableC15H14O4258.089208931 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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