Bioactive Compound Details
| BioID | bio200296 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL240281 |
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.31 |
| Molecular Weight (Monoisotopic) | 236.1412 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 6-(2'-Methylhexyl)Salicylic Acid |
| Smiles | CCCCC(C)Cc1cccc(O)c1C(=O)O |
| Inchi | InChI=1S/C14H20O3/c1-3-4-6-10(2)9-11-7-5-8-12(15)13(11)14(16)17/h5,7-8,10,15H,3-4,6,9H2,1-2H3,(H,16,17) |
| Inchi Key | QYIXELAYIFNLBH-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.86 |
| Records Key | ['30', '16'] |
| Records Name | [6-(2'-Methylhexyl)salicylic acid", "6-(2'-methylhexyl)salicylic acid"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
