2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00042 |
| Mol. Weight | 176.215 g/mol |
| LogP | 2.87 |
| Water solubility | 0.000794 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 4 |
| XLogP3 | 3.0 |
| Identifiers | |
|---|---|
| Formula | C11H12O2 |
| PubChem CID | 637758 |
| FEMA | 2430 |
| Flavor Profile | Balsamic, Cinnamon, Floral, Fruit, Honey |
| Smiles | CCOC(=O)/C=C/c1ccccc1 |
| InChl Key | KBEBGUQPQBELIU-CMDGGOBGSA-N |
| InChl | InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+ |
| CAS Registry Number | 103-36-6, 4192-77-2 |
| IUPAC Systematic Name | ethyl (E)-3-phenylprop-2-enoate |
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 |
|---|---|---|---|---|---|
| Galanga Resurrectionlily | Shan Nai (山柰) | Kaempferiae Rhizoma | Warm, Pungent, | Stomach | View Graph |
| Cassiabarktree | Rou Gui (肉桂) | Cinnamomi Cortex | Hot, Sweet, Pungent | Liver, Heart, Spleen, Kidney | View Graph |
| Black Pepper | Hu Jiao (胡椒) | Piperis Fructus | Hot,Pungent | Large Intestine, Stomach | View Graph |
| Cassiabarktree Twig | Gui Zhi (桂枝) | Cinnamomi Ramulus | Warm, Pungent, Sweet | Lung, Bladder, Heart | View Graph |
| Styrax benzoin | An Xi Xiang(安息香) | Sumatra Snowbell Equivalent plant: Styrax tonkinen | Mild,Pungent,Bitter | Spleen,Heart | View Graph |
Ethyl cinnamate is the ester of cinnamic acid and ethanol. It is present in the essential oil of cinnamon.[citation needed] Pure ethyl cinnamate has a "fruity and balsamic odor, reminiscent of cinnamon with an amber note".
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://en.wikipedia.org/wiki/Ethyl_cinnamate
2. Huang, J., Brenna, C., Daniele, C., Rudolf, R., Heuveline, V., Gretz, N. A cationic near infrared fluorescent agent and ethyl-cinnamate tissue clearing protocol for vascular staining and imaging[J]. Scientific reports, 2019, 9(1): 521.
3. Pezzatini, G., Becagli, S., Innocenti, M., Guidelli, R. A comparative kinetic investigation of ethylcinnamate electrohydrodimerization on mercury and liquid gallium[J]. Journal of Electroanalytical Chemistry, 1998, 444(2): 261-269.
4. Behar, R. Z., Luo, W., McWhirter, K. J., Pankow, J. F., Talbot, P.. Analytical and toxicological evaluation of flavor chemicals in electronic cigarette refill fluids[J]. Scientific reports, 2018, 8(1): 8288.
5. Zhang, H., Li, W., An, J., Wang, G., Guo, X., Hu, P., & Yuan, G. Repellence of Common Tobacco Flavorants on Lasioderma serricorne (Coleoptera: Anobiidae)[J]. Journal of economic entomology, 2018, 111(4): 1696-1701.
6. Budavari, Susan (2001). "Merck Index 13th Ed". Merck & co., Inc.