2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00179 |
| Mol. Weight | 122.171 g/mol |
| LogP | None |
| Water solubility | 0.631 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 1 |
| XLogP3-AA | 1.0 |
| Identifiers | |
|---|---|
| Formula | C7H10N2 |
| PubChem CID | 25915 |
| FEMA | 3154 |
| Flavor Profile | Fruit, Green |
| Smiles | CCC1=NC=C(N=C1)C |
| InChl Key | OXCKCFJIKRGXMM-UHFFFAOYSA-N |
| InChl | InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3 |
| CAS Registry Number | 13360-64-0 |
| IUPAC Systematic Name | 2-ethyl-5-methylpyrazine |
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 |
|---|---|---|---|---|---|
| Dahurian Angelica | Bai Zhi(白芷) | Angelicae Dahuricae Radix | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
2-Ethyl-5-Methylpyrazine is colourless to slightly yellow liquid with a nutty.It is often 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. https://www.chemicalbook.com/ProductChemicalPropertiesCB6883135.htm
2. http://www.chemspider.com/Chemical-Structure.24144.html?rid=1a212017-3356-4c0a-90e4-18501d46c81a