2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00184 |
| Mol. Weight | 126.155 g/mol |
| LogP | 1.83 |
| Water solubility | 0.0132 mol/L at 20 °C |
| Hydrogen Bond Donor | 0 |
| Hydrogen Bond Acceptor | 2 |
| Rotatable Bonds | 3 |
| XLogP3-AA | 1.6 |
| Identifiers | |
|---|---|
| Formula | C7H10O2 |
| PubChem CID | 5323650 |
| FEMA | 3714 |
| Flavor Profile | Fruit |
| Smiles | C/C=C/C=C/C(=O)OC |
| InChl Key | KWKVAGQCDSHWFK-VNKDHWASSA-N |
| InChl | InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+ |
| CAS Registry Number | 689-89-4, 1515-80-6 |
| IUPAC Systematic Name | methyl (2E,4E)-hexa-2,4-dienoate |
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 |
Methyl sorbate is a flavouring ingredien
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/5323650