2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00039 |
| Mol. Weight | 162.188 g/mol |
| LogP | 1.82 |
| Water solubility | less than 0.1 mg/mL at 64° F (NTP, 1992) |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 3 |
| XLogP3 | 1.7 |
| Identifiers | |
|---|---|
| Formula | C10H10O2 |
| PubChem CID | 641298 |
| FEMA | 3181 |
| Flavor Profile | Spice |
| Smiles | COc1ccccc1/C=C/C=O |
| InChl Key | KKVZAVRSVHUSPL-GQCTYLIASA-N |
| InChl | InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+ |
| CAS Registry Number | 1504-74-1; 60125-24-8 |
| IUPAC Systematic Name | (E)-3-(2-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 |
|---|---|---|---|---|---|
| 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 |
Cassiastearoptene is found in ceylan cinnamon. Cassiastearoptene is a flavouring ingredient. It is isolated from oils of Cinnamomum cassia (Chinese cinnamon).
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. Hughes, D. T., Pelletier, J., Rahman, S., Chen, S., Leal, W. S., Luetje, C. W. Functional and nonfunctional forms of CquiOR91, an odorant selectivity subunit of Culex quinquefasciatus[J]. Chemical senses, 2017, 42(4): 333-341.
2. Hasegawa A, Yoshino M, Nakamura H, et al. Identification of Inhibitory Component in Cinnamon—O-Methoxycinnamaldehyde Inhibits CYP1A2 and CYP2E1—[J]. Drug metabolism and pharmacokinetics, 2002, 17(3): 229-236.
3. https://pubchem.ncbi.nlm.nih.gov/compound/641298#section=Top