Bioactive Compound Details
| BioID | bio199339 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2059007 |
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.21 |
| Molecular Weight (Monoisotopic) | 224.0685 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(4-Methoxybenzyl)Malonic Acid |
| Smiles | COc1ccc(CC(C(=O)O)C(=O)O)cc1 |
| Inchi | InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)6-9(10(12)13)11(14)15/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15) |
| Inchi Key | ZBBWIKBLGUCZOQ-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.17 |
| Records Key | ['25'] |
| Records Name | ['2-(4-methoxybenzyl)malonic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
