Isorhapontigenin
precursor
Showing entry for Isorhapontigenin
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
- 73.9187
- Polarizability
- 27.477170816306103
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.893862070232189
- pKa (strongest acidic)
- 8.594213648115653
Taxonomy
- Family
- Polyphenols
- Class
- Stilbenes
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Garden rhubarb | Vegetables, Other vegetables | Publications | Show | |
| Grape wine | Beverages, Alcoholic | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Piceatannol | Isorhapontigenin | rat | plasma, urine | C15H14O4 | 258.089208931 | Publications |
Isorhapontigenin