Identification

PhytoHub ID
PHUB000328
Name
Isorhapontigenin
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-[(E)-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
73.91870000000002
Polarizability
27.42264746216017
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.893862070232189
pKa (strongest acidic)
8.594213648115653
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Piceatannol Isorhapontigeninratplasma, urineC15H14O4258.089208931 Publications
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