General Characteristics
2D structure
NatID 213
Common Name Sauroxine
Molecular Formula C17H26N2O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 274.205 g/mol
Other names

 

Representations
Smiles C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]3(C1)[C@H]2CCCN3C
Inchi InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12+,13+,17-/m1/s1
Inchi Key HXJHQEWSHQXRPH-ZOPJHEKZSA-N
3D Structure

 

Calculated Properties
clogP 2.68
TPSA 32.34
HBD 1
HBA 2
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 20
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9145 Phlegmariurus saururus No Very High Vallejo, M. G., Ortega, M. G., Cabrera, J. L., & Agnese, A. M. (2013). N-Demethyl-sauroxine, a novel Lycodine Group alkaloid from Huperzia saururus. Tetrahedron Letters, 54(38), 5197–5200. https://doi.org/10.1016/j.tetlet.2013.07.068
9500 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