2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00070 |
| Mol. Weight | 74.079 g/mol |
| LogP | -0.08 |
| Water solubility | 3.47 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 1 |
| XLogP3 | 0.2 |
| Identifiers | |
|---|---|
| Formula | C3H6O2 |
| PubChem CID | 6584 |
| FEMA | 2676 |
| Flavor Profile | Pleasant Odor, Fragrant, Fruity Odor, Fleeting, Fruity Taste; Ester, Green |
| Smiles | COC(C)=O |
| InChl Key | KXKVLQRXCPHEJC-UHFFFAOYSA-N |
| InChl | InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3 |
| CAS Registry Number | 79-20-9 |
| IUPAC Systematic Name | methyl acetate |
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 |
|---|---|---|---|---|---|
| Cablin Potchouli | Guang Huo Xiang (广藿香) | Pogostemonis Herba | Minor Warm,Pungent | Lung, Spleen, Stomach | View Graph |
| Chinese Ephedra Equivalent plant: Ephedra equiseti | Ma Huang (麻黄) | Ephedrae Herba | Warm, Pungent, Slightly Bitter | Lung, Bladder | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
NO DATA
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.
NO DATA