2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00143 |
| Mol. Weight | 84.118 g/mol |
| LogP | 1.56 |
| Water solubility | 0.24 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 | 15394 |
| FEMA | 3382 |
| Flavor Profile | Fish, Green, Mustard, Pungent |
| Smiles | C=CC(=O)CC |
| InChl Key | JLIDVCMBCGBIEY-UHFFFAOYSA-N |
| InChl | InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3 |
| CAS Registry Number | 1629-58-9 |
| IUPAC Systematic Name | pent-1-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 |
|---|---|---|---|---|---|
| Bush Redpepper | La Jiao (辣椒) | Capsici Fructus | Hot, Pungent | Lung, Spleen, Stomach, Heart, Kidney | View Graph |
| Evodia rutaecarpa | Wu Zhu Yu(吴茱萸) | Medicinal Evodia Equivalent plant: Evodia rutaecar | Pungent, bitter, hot | Liver, spleen,stomach | View Graph |
1-Penten-3-one is found in animal foods. 1-Penten-3-one is present in banana, orange peel oil, grapefruit juice, wine grape, peach, fish oil, chicken fat, black tea, soybean, lovage leaf, endive, oyster, clam and cooked bee
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. Yamauchi, Y., Kunishima, M., Mizutani, M., Sugimoto, Y. Reactive short-chain leaf volatiles act as powerful inducers of abiotic stress-related gene expression[J]. Scientific reports, 2015, 5: 8030.
2. Aprea, E., Charles, M., Endrizzi, I., Corollaro, M. L., Betta, E., Biasioli, F., Gasperi, F. Sweet taste in apple: the role of sorbitol, individual sugars, organic acids and volatile compounds[J]. Scientific reports, 2017, 7: 44950.
3. https://pubchem.ncbi.nlm.nih.gov/compound/15394