2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00139 |
| Mol. Weight | 84.118 g/mol |
| LogP | 1.21 |
| Water solubility | 0.191 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3-AA | 1.0 |
| Identifiers | |
|---|---|
| Formula | C5H8O |
| PubChem CID | 12365893 |
| FEMA | / |
| Flavor Profile | / |
| Smiles | CC/C=C\C=O |
| InChl Key | DTCCTIQRPGSLPT-ARJAWSKDSA-N |
| InChl | InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3- |
| CAS Registry Number | 1576-86-9, 764-39-6 |
| IUPAC Systematic Name | (Z)-pent-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 |
|---|---|---|---|---|---|
| NONE | NONE | NONE | NONE | NONE | View Graph |
2-Pentenal is found in cereals and cereal products. 2-Pentenal is found in peas, cooked potato, French fries, wheat bread, cavier, black tea, fish oils, raspberries, strawberries and other foods. 2-Pentenal is a flavouring ingredien.
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. http://www.hmdb.ca/metabolites/HMDB0031601
2. https://pubchem.ncbi.nlm.nih.gov/compound/12365893#section=Top