Bioactive Compound Details
| BioID | bio200055 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2059003 |
| Molecular Formula | C12H14O6 |
| Molecular Weight | 254.24 |
| Molecular Weight (Monoisotopic) | 254.079 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(3,4-Dimethoxybenzyl)Malonic Acid |
| Smiles | COc1ccc(CC(C(=O)O)C(=O)O)cc1OC |
| Inchi | InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16) |
| Inchi Key | NQKOQSKMBSAXTD-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.3 |
| Records Key | ['21'] |
| Records Name | ['2-(3,4-dimethoxybenzyl)malonic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
