General Characteristics
2D structure
NatID 214
Common Name N-Demethylsauroxine
Molecular Formula C16H24N2O
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 260.189 g/mol
Other names

 

Representations
Smiles C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@]3(C1)NCCC[C@@H]23
Inchi InChI=1S/C16H24N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h10-12,17H,2-9H2,1H3,(H,18,19)/t10-,11+,12+,16-/m1/s1
Inchi Key SODGYLLKKFRBQO-KZTGVZKYSA-N
3D Structure

 

Calculated Properties
clogP 2.34
TPSA 41.13
HBD 2
HBA 2
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
9144 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
9732 Phlegmariurus saururus No Very High Vallejo, M. G., Corzo, M. E., Ortega, M. G., & Agnese, A. M. (2019). 12α-hydroxy-N-demethyl-sauroxine, a lycodane type alkaloid from Phlegmariurus saururus. Natural Product Research, 34(9), 1270–1275. https://doi.org/10.1080/14786419.2018.1560287

 

Bioassay ID NPASS ID Target Activity type Activity