General Characteristics
2D structure
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