[6]-Gingerdiol acetate methyl ether
PubChem CID: 11416878
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL8236681, [6]-Gingerdiol acetate methyl ether |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Description | [6]-gingerdiol acetate methyl ether 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. [6]-gingerdiol acetate methyl ether is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). [6]-gingerdiol acetate methyl ether can be found in ginger, which makes [6]-gingerdiol acetate methyl ether a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [1-(3,4-dimethoxyphenyl)-3-hydroxydecan-5-yl] acetate |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 4.5 |
| Superclass | Benzenoids |
| Subclass | Methoxybenzenes |
| Molecular Formula | C20H32O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MVMCYBCRYZSVDR-UHFFFAOYSA-N |
| Fcsp3 | 0.65 |
| Rotatable Bond Count | 13.0 |
| Synonyms | 6-GINGEDIOL-ACETATE-METHYL-ETHER, 1-(3,4-Dimethoxyphenyl)-3-hydroxydecan-5-yl acetic acid, [6]-Gingerdiol acetic acid methyl ether |
| Compound Name | [6]-Gingerdiol acetate methyl ether |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -4.186220199999999 |
| Inchi | InChI=1S/C20H32O5/c1-5-6-7-8-18(25-15(2)21)14-17(22)11-9-16-10-12-19(23-3)20(13-16)24-4/h10,12-13,17-18,22H,5-9,11,14H2,1-4H3 |
| Smiles | CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)O)OC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dimethoxybenzenes |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all