General Characteristics
2D structure
NatID 1357
Common Name NatID_1357
Molecular Formula C16H24N2O2
Chemical Class Prenol lipids > Sesquiterpenoids
Molecular Weight 276.184 g/mol
Other names

 

Representations
Smiles C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@]3(C1)NCCC[C@@]23O
Inchi InChI=1S/C16H24N2O2/c1-10-7-11-8-13-12(3-4-14(19)18-13)15(9-10)16(11,20)5-2-6-17-15/h10-11,17,20H,2-9H2,1H3,(H,18,19)/t10-,11+,15+,16-/m1/s1
Inchi Key WFGOVFXFPPSKAW-LZJQFABFSA-N
3D Structure

 

Calculated Properties
clogP 1.45
TPSA 61.36
HBD 3
HBA 3
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
9731 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