2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00153 |
| Mol. Weight | 98.145 g/mol |
| LogP | 1.7 |
| Water solubility | In water, 28,900 mg/L |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 1 |
| XLogP3-AA | 1.4 |
| Identifiers | |
|---|---|
| Formula | C6H10O |
| PubChem CID | 8858 |
| FEMA | 3368 |
| Flavor Profile | Commercial Grade Exhibits An Unpleasant Odor, Peppermint- Or Honey-Like Odor, Oily Taste; |
| Smiles | CC(=O)C=C(C)C |
| InChl Key | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
| InChl | InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 |
| CAS Registry Number | 141-79-7 |
| IUPAC Systematic Name | 4-methylpent-3-en-2-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 |
|---|---|---|---|---|---|
| Ardisiae japonicae | Ai Di Cha(矮地茶) | Japanese Ardisia Herb | Mild,Pungent,Bitter | Spleen,Heart | View Graph |
| Dahurian Rhododendron | Man Shan Hong (满山红) | Rhododendri Daurici Folium | Cold, Pungent, Bitter | Liver, Heart, Lung | View Graph |
Mesityl oxide is a ,-unsaturated ketone with the formula CH3C(O)CH=C(CH3)2. This compound is a colorless, volatile liquid with a honey-like odor
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. https://en.wikipedia.org/wiki/Mesityl_oxide
2. Williams M. The Merck Index: an Encyclopedia of Chemicals, Drugs, and Biologicals. Merck Inc., Whitehouse Station/Rahway, New Jersey, October 2006. Cloth 0‐911910‐00X. $125. pp. 2564[J]. Drug Development Research, 2006, 67(11): 870-870.