General Characteristics
2D structure
NatID 1419
Common Name NatID_1419
Molecular Formula C19H37NO2
Chemical Class
Molecular Weight 311.282 g/mol
Other names 75664-18-5

 

Representations
Smiles CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1C
Inchi InChI=1S/C19H37NO2/c1-16(21)12-10-8-6-4-5-7-9-11-13-18-14-15-19(22)17(2)20(18)3/h17-19,22H,4-15H2,1-3H3/t17-,18+,19-/m1/s1
Inchi Key AHRLVMHWPCQOGN-CEXWTWQISA-N
3D Structure

 

Calculated Properties
clogP 4.32
TPSA 40.54
HBD 1
HBA 3
Rotatable Bonds 11
Aromatic Rings 0
Heavy Atoms 22
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10052 Prosopis No Low Gianinetto, I. B., Cabrera, J. L., & Juliani, H. R. (1980). Isolation of N-Methylcassine From Species of the Genus Prosopis. Journal of Natural Products, 43(5), 632–633. https://doi.org/10.1021/np50011a017

 

Bioassay ID NPASS ID Target Activity type Activity