Bioactive Compound Details
| BioID | bio199299 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1165210 |
| Molecular Formula | C19H18N2O2 |
| Molecular Weight | 306.37 |
| Molecular Weight (Monoisotopic) | 306.1368 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 3-(2-Acetoxylbenzylidine)Anabasaine |
| Smiles | CC(=O)Oc1ccccc1/C=C1\CCCN=C1c1cccnc1 |
| Inchi | InChI=1S/C19H18N2O2/c1-14(22)23-18-9-3-2-6-15(18)12-16-7-5-11-21-19(16)17-8-4-10-20-13-17/h2-4,6,8-10,12-13H,5,7,11H2,1H3/b16-12+ |
| Inchi Key | LLNCFHKPOODUHN-FOWTUZBSSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.37 |
| Records Key | ['1.22'] |
| Records Name | ['3-(2-acetoxylbenzylidine)anabasaine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
