2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00079 |
| Mol. Weight | 109.128 g/mol |
| LogP | 0.93 |
| Water solubility | 2.51 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 1 |
| XLogP3-AA | 0.9 |
| Identifiers | |
|---|---|
| Formula | C6H7NO |
| PubChem CID | 14079 |
| FEMA | 3202 |
| Flavor Profile | Bread, Cocoa, Hazelnut, Licorice, Walnut |
| Smiles | CC(=O)c1ccc[nH]1 |
| InChl Key | IGJQUJNPMOYEJY-UHFFFAOYSA-N |
| InChl | InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3 |
| CAS Registry Number | 1072-83-9 |
| IUPAC Systematic Name | 1-(1H-pyrrol-2-yl)ethanone |
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 |
|---|---|---|---|---|---|
| Sparganium stoloniferum | San Leng(三棱) | Common Burreed | Mild,Bitter | Liver | View Graph |
| Bugbane Equivalent plant: Cimicifuga dahurica, Ci | Sheng Ma(升麻) | Cimicifugae Rhizoma | Cold, Sweet, Pungent | Lung, Spleen, Large Intestine, Stomach | View Graph |
| Fresh Common Ginger | Sheng Jiang (生姜) | Zingiber Rhizoma Recens | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Chinese Clematis | Wei Ling Xian (威灵仙) | Clematidis Radix Et Rhizoma | Warm, Pungent, Salty | Bladder | View Graph |
2-acetylpyrrole have sweet aroma reminiscent of cooked popcorn scent.
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. Buttery R G, Turnbaugh J G, Ling L C. Contribution of volatiles to rice aroma[J]. Journal of agricultural and food chemistry, 1988, 36(5): 1006-1009.
2. Gianturco M A, Giammarino A S, Friedel P. Volatile constituents of coffee-V[J]. Nature, 1966, 210(5043): 1358.