1-(3,4-Dimethoxyphenyl)-5-hydroxydodecan-3-one
PubChem CID: 86217089
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| Compound Synonyms | Methyl-8-gingerol, Methyl-[8]-gingerol, CHEMBL4098252, SCHEMBL20668185, CHEBI:192219, 1-(3,4-dimethoxyphenyl)-5-hydroxydodecan-3-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | IKXQNPSOQKPFAU-UHFFFAOYSA-N |
| Rotatable Bond Count | 13.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | 1-(3,4-Dimethoxyphenyl)-5-hydroxydodecan-3-one |
| Kingdom | Organic compounds |
| Description | Methyl-[8]-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-[8]-gingerol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Methyl-[8]-gingerol can be found in ginger, which makes methyl-[8]-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;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3,4-dimethoxyphenyl)-5-hydroxydodecan-3-one |
| Total Atom Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Benzene and substituted derivatives |
| Inchi | InChI=1S/C20H32O4/c1-4-5-6-7-8-9-17(21)15-18(22)12-10-16-11-13-19(23-2)20(14-16)24-3/h11,13-14,17,21H,4-10,12,15H2,1-3H3 |
| Smiles | CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)OC)O |
| Xlogp | 4.5 |
| Superclass | Benzenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Methoxybenzenes |
| Taxonomy Direct Parent | Dimethoxybenzenes |
| Molecular Formula | C20H32O4 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all