| BioID | bio200181 |
|---|
| Name | PENTENAL |
|---|
| ChEMBL ID | CHEMBL256368 |
|---|
| Molecular Formula | C5H8O |
|---|
| Molecular Weight | 84.12 |
|---|
| Molecular Weight (Monoisotopic) | 84.0575 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Pentenal|Pent-2-enal |
|---|
| Smiles | CC/C=C/C=O |
|---|
| Inchi | InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+ |
|---|
| Inchi Key | DTCCTIQRPGSLPT-ONEGZZNKSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 27.0 |
|---|
| Bioactivities | 39.0 |
|---|
| Np Likeness Score | 2.7 |
|---|
| Records Key | ['pentenal', '37', '379', '(E)-2-pentenal', 'trans-2-pentenal', '36'] |
|---|
| Records Name | ['pent-2-enal', '2-pentenal', '(E)-pent-2-enal', '(E)-2-pentenal', 'trans-2-pentenal', 'pent-2-enal'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
