2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00197 |
| Mol. Weight | 86.134 g/mol |
| LogP | 0.95 |
| Water solubility | 0.501 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 3 |
| XLogP3-AA | 1.0 |
| Identifiers | |
|---|---|
| Formula | C5H10O |
| PubChem CID | 13181 |
| FEMA | - |
| Flavor Profile | Butter, Pungent |
| Smiles | C=CCCCO |
| InChl Key | LQAVWYMTUMSFBE-UHFFFAOYSA-N |
| InChl | InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2 |
| CAS Registry Number | 821-09-0 |
| IUPAC Systematic Name | pent-4-en-1-ol |
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 |
|---|---|---|---|---|---|
| NONE | NONE | NONE | NONE | NONE | View Graph |
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.Fisher A J, Grimes H D, Fall R. The biochemical origin of pentenol emissions from wounded leaves[J]. Phytochemistry, 2003, 62(2): 159-163.
2.https://pubchem.ncbi.nlm.nih.gov/compound/13181
3.http://www.chemspider.com/Chemical-Structure.12626.html