General Characteristics
2D structure
NatID 1608
Common Name NatID_1608
Molecular Formula C18H27NO5
Chemical Class Macrolides and analogues
Molecular Weight 337.189 g/mol
Other names 20361-76-6

 

Representations
Smiles C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
Inchi InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+/t11-,13-,14-,15-,18-/m1/s1
Inchi Key BTHCJHQOYFUIMG-CDQUAFCBSA-N
3D Structure

 

Calculated Properties
clogP 1.27
TPSA 76.07
HBD 1
HBA 6
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 24
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
10300 Senecio viravira No Low Jares, E., & Pomilio, A. B. (1987). Pyrrolizidine Alkaloids and Other Components of Senecio vira-vira. Journal of Natural Products, 50(3), 514–514. https://doi.org/10.1021/np50051a034

 

Bioassay ID NPASS ID Target Activity type Activity