2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00045 |
| Mol. Weight | 162.188 g/mol |
| LogP | 1.8 |
| Water solubility | 0.0017 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 3 |
| XLogP3-AA | None |
| Identifiers | |
|---|---|
| Formula | C10H10O2 |
| PubChem CID | 641294 |
| FEMA | 3567 |
| Flavor Profile | Fruit |
| Smiles | COc1ccc(/C=C/C=O)cc1 |
| InChl Key | AXCXHFKZHDEKTP-NSCUHMNNSA-N |
| InChl | InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+ |
| CAS Registry Number | 1963-36-6, 24680-50-0 |
| IUPAC Systematic Name | (E)-3-(4-methoxyphenyl)prop-2-enal |
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 |
|---|---|---|---|---|---|
| Chinese Star Anise | Ba Jiao Hui Xiang (八角茴香) | Anisi Stellati Fructus | Warm, Pungent | Lung, Spleen, Stomach | View Graph |
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
4-Methoxycinnamaldehyde, an active constituent of Agastache rugosa. 4-methoxycinnamaldehyde could inhibit the cytopathic effect of human respiratory
syncytial virus (RSV).
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 Wang K C, San Chang J, Chiang L C, et al. 4-Methoxycinnamaldehyde inhibited human respiratory syncytial virus in a human larynx carcinoma cell line[J]. Phytomedicine, 2009, 16(9): 882-886.
2 https://en.wikipedia.org/wiki/4-Methoxycinnamaldehyde