| BioID | bio199831 |
|---|
| Name | 2-methyl-(E)-2-butenal |
|---|
| ChEMBL ID | CHEMBL53493 |
|---|
| Molecular Formula | C5H8O |
|---|
| Molecular Weight | 84.12 |
|---|
| Molecular Weight (Monoisotopic) | 84.0575 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | C/C=C(\C)C=O |
|---|
| Inchi | InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ |
|---|
| Inchi Key | ACWQBUSCFPJUPN-HWKANZROSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 18.0 |
|---|
| Bioactivities | 35.0 |
|---|
| Np Likeness Score | 2.41 |
|---|
| Records Key | ['21', '2-methyl-(E)-2-butenal', '384'] |
|---|
| Records Name | ['(E)-2-Methyl-but-2-enal', '2-methyl-(E)-2-butenal', '(E)-2-methylbut-2-enal'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
