Identification

PhytoHub ID
PHUB000327
Name
Rhapontigenin
Synonyms
  • 3,3′,5′-Trihydroxy-4-methoxystilbene
  • RHA
CAS Number
Not Available
Average Mass
258.273
Monoisotopic Mass
258.089208931
Chemical Formula
C15H14O4
IUPAC Name
5-[(E)-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
[H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC(O)=C(OC)C=C1
Structure

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
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Rhapontigenin rhapontigenin glucuronidein vitro (rat) ratliver, plasmaC21H22O10 434.1213 Publications
Piceatannol Rhapontigeninratplasma, urineC15H14O4258.089208931 Publications
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