2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00173 |
| Mol. Weight | 140.226 g/mol |
| LogP | 3.13 |
| Water solubility | 0.0117 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 0 |
| XLogP3-AA | 2.4 |
| Identifiers | |
|---|---|
| Formula | C9H16O |
| PubChem CID | 17000 |
| FEMA | 3473 |
| Flavor Profile | Floral |
| Smiles | CC1CCCC(C)(C)C1=O |
| InChl Key | ZPVOLGVTNLDBFI-UHFFFAOYSA-N |
| InChl | InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3 |
| CAS Registry Number | 2408-37-9, 62861-88-5 |
| IUPAC Systematic Name | 2,2,6-trimethylcyclohexan-1-one |
Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets
Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)
| English Name | Pinyin Name (Chinese Name) | Latin Name | Properties in TCM | merdians | View Graph |
|---|---|---|---|---|---|
| NONE | NONE | NONE | NONE | NONE | View Graph |
2,2, 6-trimethylcyclohexanone is a colorless liquid, commonly used as a food spice.
Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.
1. Takikawa H, Ueda K, Sasaki M. The first synthesis and absolute configuration of glaucescenolide[J]. Tetrahedron letters, 2004, 45(29): 5569-5571.
2. https://www.chemicalbook.com/ProductChemicalPropertiesCB9155613.htm
3. http://www.chemspider.com/Chemical-Structure.16105.html?rid=56e1869b-2ee0-4a65-bc1f-c6a3dd092345