Methyl-[12]-gingerol
PubChem CID: 157010033
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| Compound Synonyms | Methyl-[12]-gingerol |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | JQRRCYHOIQUQPT-UHFFFAOYSA-N |
| Rotatable Bond Count | 17.0 |
| Heavy Atom Count | 28.0 |
| Compound Name | Methyl-[12]-gingerol |
| Description | Methyl-[12]-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-[12]-gingerol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Methyl-[12]-gingerol can be found in ginger, which makes methyl-[12]-gingerol a potential biomarker for the consumption of this food product. |
| Exact Mass | 392.293 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.293 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.6 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3,4-dimethoxyphenyl)-5-hydroxyhexadecan-3-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C24H40O4/c1-4-5-6-7-8-9-10-11-12-13-21(25)19-22(26)16-14-20-15-17-23(27-2)24(18-20)28-3/h15,17-18,21,25H,4-14,16,19H2,1-3H3 |
| Smiles | CCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O |
| Xlogp | 6.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C24H40O4 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all