2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00187 |
| Mol. Weight | 74.079 g/mol |
| LogP | -0.71 |
| Water solubility | 9.12 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 1 |
| XLogP3-AA | -0.7 |
| Identifiers | |
|---|---|
| Formula | C3H6O2 |
| PubChem CID | 8299 |
| FEMA | 4462 |
| Flavor Profile | Butter, Herb, Malt, Pungent |
| Smiles | CC(=O)CO |
| InChl Key | XLSMFKSTNGKWQX-UHFFFAOYSA-N |
| InChl | InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 |
| CAS Registry Number | 116-09-6 |
| IUPAC Systematic Name | 1-hydroxypropan-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 |
|---|---|---|---|---|---|
| Fleshfingered Citron | Fo Shou (佛手) | Citri Sarcodactylis Fructus | Warm, Pungent, Sour, Bitter | Lung, Spleen, Stomach, Liver, Kidney | View Graph |
| Sandalwood | Tan Xiang(檀香) | Santali Albi Lignum | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
I n f o o d s , i t i s f o r m e d b y t h e M a i l l a r d r e a c t i o n , a n d c a n r e a c t f u r t h e r t o f o r m o t h e r c o m p o u n d s w i t h v a r i o u s a r o m a s . A s s u c h i t f i n d s s o m e u s e a s a f l a v o r i n g .
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.Nursten H E. The mechanism of formation of 3-methylcyclopent-2-en-2-olone[J]. The Maillard Reaction in Foods and Medicine, 1998, 223: 65.
2.https://en.wikipedia.org/wiki/Hydroxyacetone