1-(3,4-Dimethoxyphenyl)-5-hydroxytetradecan-3-one
PubChem CID: 86181346
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Methyl-10-gingerol, Methyl-[10]-gingerol, CHEBI:191431, 1-(3,4-dimethoxyphenyl)-5-hydroxytetradecan-3-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Description | Methyl-[10]-gingerol is a member of the class of compounds known as dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Methyl-[10]-gingerol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Methyl-[10]-gingerol can be found in ginger, which makes methyl-[10]-gingerol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3,4-dimethoxyphenyl)-5-hydroxytetradecan-3-one |
| Nih Violation | True |
| Class | Benzene and substituted derivatives |
| Xlogp | 5.6 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Methoxybenzenes |
| Molecular Formula | C22H36O4 |
| Inchi Key | YCMYNWSNMYONMK-UHFFFAOYSA-N |
| Rotatable Bond Count | 15.0 |
| Compound Name | 1-(3,4-Dimethoxyphenyl)-5-hydroxytetradecan-3-one |
| Kingdom | Organic compounds |
| Exact Mass | 364.261 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 364.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 364.5 |
| 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/C22H36O4/c1-4-5-6-7-8-9-10-11-19(23)17-20(24)14-12-18-13-15-21(25-2)22(16-18)26-3/h13,15-16,19,23H,4-12,14,17H2,1-3H3 |
| Smiles | CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dimethoxybenzenes |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all