General Characteristics
2D structure
NatID 1232
Common Name NatID_1232
Molecular Formula C16H25NO2
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 263.189 g/mol
Other names

 

Representations
Smiles C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@@H]3[C@H](CC4=O)[C@@H]1O
Inchi InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-13,15,19H,2-9H2,1H3/t10-,11-,12+,13+,15+,16+/m0/s1
Inchi Key LBISDCPXNBKNSN-SWTKMSQOSA-N
3D Structure

 

Calculated Properties
clogP 1.84
TPSA 40.54
HBD 1
HBA 3
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 19
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9499 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