[9]-Gingerol
PubChem CID: 24826452
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| Compound Synonyms | [9]-Gingerol, CHEMBL4076508, SCHEMBL20668234 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | POEQJXMZRAIOBX-UHFFFAOYSA-N |
| Rotatable Bond Count | 13.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | [9]-Gingerol |
| Description | [9]-gingerol is a member of the class of compounds known as gingerols. Gingerols are compounds containing a gingerol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by a 5-hydroxy-alkane-3-one. [9]-gingerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [9]-gingerol can be found in ginger, which makes [9]-gingerol a potential biomarker for the consumption of this food product. |
| Exact Mass | 336.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 336.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tridecan-3-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H32O4/c1-3-4-5-6-7-8-9-17(21)15-18(22)12-10-16-11-13-19(23)20(14-16)24-2/h11,13-14,17,21,23H,3-10,12,15H2,1-2H3 |
| Smiles | CCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
| Xlogp | 4.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H32O4 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all