General Characteristics
| NatID | 219 |
| Common Name | N-Acetyllycodine |
| Molecular Formula | C18H24N2O |
| Chemical Class | Phenanthrolines |
| Molecular Weight | 284.189 g/mol |
| Other names |
Representations
| Smiles | CC(=O)N1CCC[C@@H]2[C@@H]3Cc4ncccc4[C@@]21C[C@H](C)C3 |
| Inchi | InChI=1S/C18H24N2O/c1-12-9-14-10-17-16(5-3-7-19-17)18(11-12)15(14)6-4-8-20(18)13(2)21/h3,5,7,12,14-15H,4,6,8-11H2,1-2H3/t12-,14+,15-,18-/m1/s1 |
| Inchi Key | CZOWKFLKIKEDTI-MJXUCMMTSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.14 |
| TPSA | 33.20 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 1 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9497 | Phlegmariurus saururus | No | Very High | Ortega, M. G., Agnese, A. M., & Cabrera, J. L. (2004). Anticholinesterase activity in an alkaloid extract of Huperzia saururus. Phytomedicine, 11(6), 539–543. https://doi.org/10.1016/j.phymed.2003.07.006 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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