General Characteristics
2D structure
NatID 1233
Common Name NatID_1233
Molecular Formula C16H25NO2
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 263.189 g/mol
Other names

 

Representations
Smiles C[C@@H]1C[C@H]2C(O)C(=O)[C@H]3CCCN4CCC[C@H]2[C@]34C1
Inchi InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h10-14,18H,2-9H2,1H3/t10-,11-,12-,13-,14?,16-/m1/s1
Inchi Key AWIZLLPREQJRKH-YSTWYHDLSA-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
9501 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