2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00084 |
| Mol. Weight | 156.269 g/mol |
| LogP | 3.73 |
| Water solubility | 0.0768 mg/mL at 25 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 7 |
| XLogP3 | 3.7 |
| Identifiers | |
|---|---|
| Formula | C10H20O |
| PubChem CID | 12741 |
| FEMA | 4271 |
| Flavor Profile | Fat, Fruit |
| Smiles | CCCCCCCCC(=O)C |
| InChl Key | ZAJNGDIORYACQU-UHFFFAOYSA-N |
| InChl | InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3 |
| CAS Registry Number | 693-54-9 |
| IUPAC Systematic Name | decan-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 |
|---|---|---|---|---|---|
| Dichroa febrifuga | Chang Shan(常山) | Antifebrile Dichroa | Cold,Pungent,Bitter | Lung,Liver,Heart | View Graph |
| Flos Campsis | Ling Xiao Hua(凌霄花) | flower of Common Trumpetcreeper | Minor cold,Pungent | Liver,Cardiovascular | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
2-decanone can disrupt the intestine and pharynx of M. incognita Te LC50/2d values 2-decanone 126.00 mg/L.
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.Dagan-Wiener A, Nissim I, Abu N B,Borgonovo, G., Bassoli, A., Niv, M. Y. Bitter or not? BitterPredict, a tool for predicting taste from chemical structure[J]. Scientific reports, 2017, 7(1): 12074.
2.Rees C A, Nasir M, Smolinska A, Lewis, A. E., Kane, K. R., Kossmann, S. E., Hill, J. E. Detection of high-risk carbapenem-resistant Klebsiella pneumoniae and Enterobacter cloacae isolates using volatile molecular profiles[J]. Scientific reports, 2018, 8(1): 13297.
3.Liu F, Liu N. Human odorant reception in the common bed bug, Cimex lectularius[J]. Scientific reports, 2015, 5: 15558.
4.Wheeler L M, Neale N R, Chen T,& Kortshagen, U. R. Hypervalent surface interactions for colloidal stability and doping of silicon nanocrystals[J]. Nature communications, 2013, 4: 2197.
5.Liu F, Chen Z, Liu N. Molecular basis of olfactory chemoreception in the common bed bug, Cimex lectularius[J]. Scientific reports, 2017, 7: 45531.
6.Raza W, Ling N, Yang L, et al. Response of tomato wilt pathogen Ralstonia solanacearum to the volatile organic compounds produced by a biocontrol strain Bacillus amyloliquefaciens SQR-9[J]. Scientific reports, 2016, 6: 24856.
7.Cheng W, Yang J, Nie Q,Huang, D., Yu, C., Zheng, L., Zhang, J. Volatile organic compounds from Paenibacillus polymyxa KM2501-1 control Meloidogyne incognita by multiple strategies[J]. Scientific reports, 2017, 7(1): 16213.