2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00085 |
| Mol. Weight | 102.133 g/mol |
| LogP | 1.21 |
| Water solubility | In water, 19,200 mg/l at 25 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 3 |
| XLogP3 | 1.2 |
| Identifiers | |
|---|---|
| Formula | C5H10O2 |
| PubChem CID | 7749 |
| FEMA | 2456 |
| Flavor Profile | Reminiscent Of Rum & Pineapple，Fruity Odor, Odor Of Pineapple, Butter- Or Rum-Like; Apple, Pineapple, Rum, Strawberry |
| Smiles | CCOC(=O)CC |
| InChl Key | FKRCODPIKNYEAC-UHFFFAOYSA-N |
| InChl | InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 |
| CAS Registry Number | 105-37-3 |
| IUPAC Systematic Name | ethyl propanoate |
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 |
|---|---|---|---|---|---|
| Sesamum indicum [Syn. Sesamum orientale ] | Hei Zhi Ma(黑芝麻) | Oriental Sesame (black seed) | Mild,Sweet | Lung,Spleen | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
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. Rokni D, Hemmelder V, Kapoor V,& Murthy, V. N. An olfactory cocktail party: figure-ground segregation of odorants in rodents[J]. Nature neuroscience, 2014, 17(9): 1225.
2. Makkar S R, Zhang S Q, Cranney J. Behavioral and neural analysis of GABA in the acquisition, consolidation, reconsolidation, and extinction of fear memory[J]. Neuropsychopharmacology, 2010, 35(8): 1625.
3. Bindels L B, Porporato P, Dewulf E M,Verrax, J., Neyrinck, A. M., Martin, J. C., Sonveaux, P. Gut microbiota-derived propionate reduces cancer cell proliferation in the liver[J]. British journal of cancer, 2012, 107(8): 1337.
4. Wienisch M, Murthy V N. Population imaging at subcellular resolution supports specific and local inhibition by granule cells in the olfactory bulb[J]. Scientific reports, 2016, 6: 29308.
5. Scheidler N H, Liu C, Hamby K A,Zalom, F. G., Syed, Z. .Volatile codes: correlation of olfactory signals and reception in Drosophila-yeast chemical communication[J]. Scientific reports, 2015, 5: 14059.