[16]-Gingerol
PubChem CID: 24826530
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| Compound Synonyms | [16]-Gingerol |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | PBVYYGQREMPCPL-UHFFFAOYSA-N |
| Rotatable Bond Count | 20.0 |
| Heavy Atom Count | 31.0 |
| Compound Name | [16]-Gingerol |
| Description | [16]-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. [16]-gingerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [16]-gingerol can be found in ginger, which makes [16]-gingerol a potential biomarker for the consumption of this food product. |
| Exact Mass | 434.34 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.34 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 434.7 |
| 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)icosan-3-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(28)22-25(29)19-17-23-18-20-26(30)27(21-23)31-2/h18,20-21,24,28,30H,3-17,19,22H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
| Xlogp | 8.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C27H46O4 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all