Bioactive Compound Details
| BioID | bio198640 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL444483 |
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.31 |
| Molecular Weight (Monoisotopic) | 236.1412 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Methylpentyl 3-(Hydroxymethyl)Benzoate |
| Smiles | CCCC(C)COC(=O)c1cccc(CO)c1 |
| Inchi | InChI=1S/C14H20O3/c1-3-5-11(2)10-17-14(16)13-7-4-6-12(8-13)9-15/h4,6-8,11,15H,3,5,9-10H2,1-2H3 |
| Inchi Key | QEKHMMLKOXALKS-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.33 |
| Records Key | ['22b'] |
| Records Name | ['2-Methylpentyl 3-(hydroxymethyl)benzoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
