2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00157 |
| Mol. Weight | 84.118 g/mol |
| LogP | 1.16 |
| Water solubility | 0.479 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 1 |
| XLogP3-AA | 0.9 |
| Identifiers | |
|---|---|
| Formula | C5H8O |
| PubChem CID | 5321950 |
| FEMA | 3407 |
| Flavor Profile | None |
| Smiles | C/C=C(\C)C=O |
| InChl Key | ACWQBUSCFPJUPN-HWKANZROSA-N |
| InChl | InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ |
| CAS Registry Number | 497-03-0，1115-11-3，6038-09-1 |
| IUPAC Systematic Name | (E)-2-methylbut-2-enal |
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 |
|---|---|---|---|---|---|
| Chinese Ephedra Equivalent plant: Ephedra equiseti | Ma Huang (麻黄) | Ephedrae Herba | Warm, Pungent, Slightly Bitter | Lung, Bladder | 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.
1. https://pubchem.ncbi.nlm.nih.gov/compound/5321950