2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00201 |
| Mol. Weight | 140.226 g/mol |
| LogP | 3.03 |
| Water solubility | 0.00178 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 5 |
| XLogP3-AA | 2.8 |
| Identifiers | |
|---|---|
| Formula | C9H16O |
| PubChem CID | 5317045 |
| FEMA | 3955 |
| Flavor Profile | Pungent, Mushroom |
| Smiles | CCCCCC=CC(=O)C |
| InChl Key | HDKLIZDXVUCLHQ-BQYQJAHWSA-N |
| InChl | InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+ |
| CAS Registry Number | 14309-57-0, 18402-83-0 |
| IUPAC Systematic Name | (E)-non-3-en-2-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 |
|---|---|---|---|---|---|
| Chinese Thorowax Equivalent plant: Bupleurum scorz | Chai Hu(柴胡) | Bupleuri Radix | Minor cold, Pungent, Bitter | Liver, Gallbladder, Lung | View Graph |
Nonenone is an enone that is (E)-3-nonene in which the two methylene hydrogens at position 2 have been replaced by an oxo group. It has a role as an EC 2.5.1.18 (glutathione transferase) inhibitor and a fumigant.
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.Li K, Alexakis A. Copper‐Catalyzed Enantioselective Intramolecular Conjugate Addition/Trapping Reactions: Synthesis of Cyclic Compounds with Multichiral Centers[J]. Chemistry–A European Journal, 2007, 13(13): 3765-3771.
2.Dick R A, Kensler T W. The catalytic and kinetic mechanisms of NADPH-dependent alkenal/one oxidoreductase[J]. Journal of Biological Chemistry, 2004, 279(17): 17269-17277.
3. https://pubchem.ncbi.nlm.nih.gov/compound/5317045#section=EC-Number