[14]-Gingerol
PubChem CID: 24826453
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| Compound Synonyms | [14]-Gingerol, CHEBI:231136, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octadecan-3-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Description | [14]-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. [14]-gingerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [14]-gingerol can be found in ginger, which makes [14]-gingerol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octadecan-3-one |
| Nih Violation | True |
| Class | Phenols |
| Xlogp | 7.4 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Methoxyphenols |
| Molecular Formula | C25H42O4 |
| Inchi Key | GLKIRXHYCSFCAM-UHFFFAOYSA-N |
| Rotatable Bond Count | 18.0 |
| Compound Name | [14]-Gingerol |
| Kingdom | Organic compounds |
| Exact Mass | 406.308 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 406.308 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 406.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(26)20-23(27)17-15-21-16-18-24(28)25(19-21)29-2/h16,18-19,22,26,28H,3-15,17,20H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Gingerols |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all