General Characteristics
2D structure
NatID 1158
Common Name NatID_1158
Molecular Formula C16H25NO3
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 279.183 g/mol
Other names

 

Representations
Smiles C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@@H]3[C@](O)(CC4=O)[C@@H]1O
Inchi InChI=1S/C16H25NO3/c1-10-8-15-11-4-2-6-17(15)7-3-5-13(15)16(20,14(10)19)9-12(11)18/h10-11,13-14,19-20H,2-9H2,1H3/t10-,11+,13-,14+,15-,16+/m0/s1
Inchi Key FOVQTMMRJCOHMQ-SRIGRBMASA-N
3D Structure

 

Calculated Properties
clogP 0.95
TPSA 60.77
HBD 2
HBA 4
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 20
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9366 Phlegmariurus saururus No Very High Ortega, M. G., Agnese, A. M., & Cabrera, J. L. (2004). Sauroine—a novel Lycopodium alkaloid from Huperzia saururus. Tetrahedron Letters, 45(38), 7003–7005. https://doi.org/10.1016/j.tetlet.2004.07.149

 

Bioassay ID NPASS ID Target Activity type Activity