2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00144 |
| Mol. Weight | 116.16 g/mol |
| LogP | None |
| Water solubility | 0.117 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 3 |
| XLogP3-AA | 1.5 |
| Identifiers | |
|---|---|
| Formula | C6H12O2 |
| PubChem CID | 7342 |
| FEMA | 2428 |
| Flavor Profile | None |
| Smiles | CCOC(=O)C(C)C |
| InChl Key | WDAXFOBOLVPGLV-UHFFFAOYSA-N |
| InChl | InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3 |
| CAS Registry Number | 97-62-1 |
| IUPAC Systematic Name | ethyl 2-methylpropanoate |
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 |
|---|---|---|---|---|---|
| Bush Redpepper | La Jiao (辣椒) | Capsici Fructus | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | View Graph |
Used as food essence and flavoring, mainly used in the preparation of cream and strawberry, cherry and other fruit essences. It can also be used as raw flavoring in cigarettes, daily chemical products and other products. At the same time, it is also an excellent organic solvent.
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.
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