3-Isopentadienyl-3',4,5'-trihydroxystilbene
PubChem CID: 14031069
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Isopentadienyl-3',4,5'-trihydroxystilbene, 5-((E)-2-(4-hydroxy-3-((1E)-3-methylbuta-1,3-dienyl)phenyl)ethenyl)benzene-1,3-diol, 5-[(E)-2-[4-hydroxy-3-[(1E)-3-methylbuta-1,3-dienyl]phenyl]ethenyl]benzene-1,3-diol, SCHEMBL8071374, 170557-18-3 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | MNTCXQWBUINPSP-JLVHPEPXSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | 3-Isopentadienyl-3',4,5'-trihydroxystilbene |
| Description | 3-isopentadienyl-3',4,5'-trihydroxystilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 3-isopentadienyl-3',4,5'-trihydroxystilbene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-isopentadienyl-3',4,5'-trihydroxystilbene can be found in peanut, which makes 3-isopentadienyl-3',4,5'-trihydroxystilbene a potential biomarker for the consumption of this food product. |
| Exact Mass | 294.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 416.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 294.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-2-[4-hydroxy-3-[(1E)-3-methylbuta-1,3-dienyl]phenyl]ethenyl]benzene-1,3-diol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C19H18O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-12,20-22H,1H2,2H3/b5-4+,7-3+ |
| Smiles | CC(=C)/C=C/C1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O |
| Xlogp | 5.2 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C19H18O3 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all