General Characteristics
| NatID | 218 |
| Common Name | N-Methyllycodine |
| Molecular Formula | C17H24N2 |
| Chemical Class | Phenanthrolines |
| Molecular Weight | 256.194 g/mol |
| Other names |
Representations
| Smiles | C[C@@H]1C[C@H]2Cc3ncccc3[C@@]3(C1)[C@@H]2CCCN3C |
| Inchi | InChI=1S/C17H24N2/c1-12-9-13-10-16-15(5-3-7-18-16)17(11-12)14(13)6-4-8-19(17)2/h3,5,7,12-14H,4,6,8-11H2,1-2H3/t12-,13+,14-,17-/m1/s1 |
| Inchi Key | ACTWVCSRWJSTOF-UMPJEAMMSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.22 |
| TPSA | 16.13 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 1 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9498 | 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 Vallejo, M. G., Corzo, M. E., Ortega, M. G., & Agnese, A. M. (2019). 12α-hydroxy-N-demethyl-sauroxine, a lycodane type alkaloid from Phlegmariurus saururus. Natural Product Research, 34(9), 1270–1275. https://doi.org/10.1080/14786419.2018.1560287 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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