2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00193 |
| Mol. Weight | 134.178 g/mol |
| LogP | 1.9 |
| Water solubility | 0.00417 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 3 |
| XLogP3 | 1.3 |
| Identifiers | |
|---|---|
| Formula | C9H10O |
| PubChem CID | 7707 |
| FEMA | 2887 |
| Flavor Profile | Green |
| Smiles | C1=CC=C(C=C1)CCC=O |
| InChl Key | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
| InChl | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2 |
| CAS Registry Number | 1335-10-0, 104-53-0 |
| IUPAC Systematic Name | 3-phenylpropanal |
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 |
|---|---|---|---|---|---|
| Styrax benzoin | An Xi Xiang(安息香) | Sumatra Snowbell Equivalent plant: Styrax tonkinen | Mild,Pungent,Bitter | Spleen,Heart | View Graph |
| Lesser Galangal | Gao Liang Jiang (高良姜) | Alpiniae Officinarum Rhizoma | Hot,Pungent | Large Intestine, Stomach | View Graph |
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Cassiabarktree | Rou Gui (肉桂) | Cinnamomi Cortex | Hot, Sweet, Pungent | Liver, Heart, Spleen, Kidney | View Graph |
| Oriental Sweetgum Resin | Su He Xiang (苏合香) | Styrax | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
3-Phenylpropanal is found in alcoholic beverages. 3-Phenylpropanal is present in cinnamon, tomato, gruyere de comte cheese, beer, cooked trassi, origanum (Spanish) and strawberry. 3-Phenylpropanal is a flavour ingredient.
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.https://pubchem.ncbi.nlm.nih.gov/compound/7707