2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00148 |
| Mol. Weight | 98.145 g/mol |
| LogP | None |
| Water solubility | 0.0977 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 2 |
| XLogP3 | 1.2 |
| Identifiers | |
|---|---|
| Formula | C6H10O |
| PubChem CID | 5365811 |
| FEMA | 3352 |
| Flavor Profile | Fruit |
| Smiles | C/C=C/C(=O)CC |
| InChl Key | FEWIGMWODIRUJM-HWKANZROSA-N |
| InChl | InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+ |
| CAS Registry Number | 2497-21-4, 50396-87-7 |
| IUPAC Systematic Name | (E)-hex-4-en-3-one |
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 |
4-Hexen-3-one is an olefinic compound. It derives from an acrylic acid. 4-Hexen-3-one is a flavouring ingredient.
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/5365811