Bioactive Compound Details
| BioID | bio198935 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1762665 |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 |
| Molecular Weight (Monoisotopic) | 158.1307 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Methyl 2-Ethylhexanoate |
| Smiles | CCCCC(CC)C(=O)OC |
| Inchi | InChI=1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3 |
| Inchi Key | KICUISADAVMYCJ-UHFFFAOYSA-N |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 0.23 |
| Records Key | ['8a'] |
| Records Name | ['methyl 2-ethylhexanoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
