(8)-Gingerdiol
PubChem CID: 156373480
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | [8]-Gingerdiol, (8)-Gingerdiol, (3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl) acetate, [3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl] acetate, SCHEMBL23370853, 863780-91-0 |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Description | [8]-gingerdiol is a member of the class of compounds known as fatty alcohol esters. Fatty alcohol esters are ester derivatives of a fatty alcohol. [8]-gingerdiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [8]-gingerdiol can be found in ginger, which makes [8]-gingerdiol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 466.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl] acetate |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 5.8 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty alcohol esters |
| Molecular Formula | C23H36O6 |
| Inchi Key | BUACOWOGXVQEBF-UHFFFAOYSA-N |
| Rotatable Bond Count | 16.0 |
| Synonyms | 8-Gingediol, 3-(Acetyloxy)-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl acetic acid |
| Compound Name | (8)-Gingerdiol |
| Kingdom | Organic compounds |
| Exact Mass | 408.251 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 408.251 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 408.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C23H36O6/c1-5-6-7-8-9-10-20(28-17(2)24)16-21(29-18(3)25)13-11-19-12-14-22(26)23(15-19)27-4/h12,14-15,20-21,26H,5-11,13,16H2,1-4H3 |
| Smiles | CCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty alcohol esters |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all