| BioID | bio199991 |
|---|
| Name | 3-METHYL-(E)-2-BUTENAL |
|---|
| ChEMBL ID | CHEMBL453815 |
|---|
| 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 | CC(C)=CC=O |
|---|
| Inchi | InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3 |
|---|
| Inchi Key | SEPQTYODOKLVSB-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 23.0 |
|---|
| Bioactivities | 25.0 |
|---|
| Np Likeness Score | 1.99 |
|---|
| Records Key | ['8', '3-methyl-(E)-2-butenal', 'SID144207347', '383'] |
|---|
| Records Name | ['3-methyl-2-butenal', '3-methyl-(E)-2-butenal', 'SID144207347', '3-methylbut-2-enal'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
