General Characteristics
2D structure
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