| BioID | bio198262 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL448058 |
|---|
| Molecular Formula | C8H14O |
|---|
| Molecular Weight | 126.2 |
|---|
| Molecular Weight (Monoisotopic) | 126.1045 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | (E)-2-Octenal |
|---|
| Smiles | CCCCC/C=C/C=O |
|---|
| Inchi | InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+ |
|---|
| Inchi Key | LVBXEMGDVWVTGY-VOTSOKGWSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 18.0 |
|---|
| Bioactivities | 22.0 |
|---|
| Np Likeness Score | 2.36 |
|---|
| Records Key | ['2', '381', '2E-C8:1-Ald', '(E)-2-octenal', '44'] |
|---|
| Records Name | ['(E)-2-octenal', '(E)-oct-2-enal', '(E)-oct-2-enal', '(E)-2-octenal', 'oct-2-enal'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
