General Characteristics
| NatID | 217 |
| Common Name | Lycodine |
| Molecular Formula | C16H22N2 |
| Chemical Class | Phenanthrolines |
| Molecular Weight | 242.178 g/mol |
| Other names |
Representations
| Smiles | C[C@@H]1C[C@H]2Cc3ncccc3[C@]3(C1)NCCC[C@H]23 |
| Inchi | InChI=1S/C16H22N2/c1-11-8-12-9-15-14(5-2-6-17-15)16(10-11)13(12)4-3-7-18-16/h2,5-6,11-13,18H,3-4,7-10H2,1H3/t11-,12+,13-,16-/m1/s1 |
| Inchi Key | JJPMUZRSJKMFRK-OQMKEHIESA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.88 |
| TPSA | 24.92 |
| HBD | 1 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 1 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9495 | 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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