General Characteristics
2D structure
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