2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00181 |
| Mol. Weight | 210.317 g/mol |
| LogP | 3.13 |
| Water solubility | 0.000195 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 3 |
| XLogP3 | 3.8 |
| Identifiers | |
|---|---|
| Formula | C13H22O2 |
| PubChem CID | 89306 |
| FEMA | 2163 |
| Flavor Profile | None |
| Smiles | CCC(=O)OC1CC2CCC1(C)C2(C)C |
| InChl Key | FAFMZORPAAGQFV-UHFFFAOYSA-N |
| InChl | InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3 |
| CAS Registry Number | 20279-25-8, 78548-53-5, 2756-56-1 |
| IUPAC Systematic Name | (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) propanoate |
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 |
|---|---|---|---|---|---|
| NONE | NONE | NONE | NONE | NONE | View Graph |
2-Bornyl Propionate is a flavouring agent.
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/89306