General Characteristics
2D structure
NatID 1469
Common Name NatID_1469
Molecular Formula C18H25NO5
Chemical Class Macrolides and analogues
Molecular Weight 335.173 g/mol
Other names 72755-25-0

 

Representations
Smiles C=C1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C(C)C1C)C23
Inchi InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3
Inchi Key FLUOSFVUPTUYEX-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 1.05
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
10108 Senecio leucostachys No Unknown Pestchanker, M. J., & Giordano, O. S. (1986). Pyrrolizidine Alkaloids from Five Senecio Species. Journal of Natural Products, 49(4), 722–723. https://doi.org/10.1021/np50046a041

 

Bioassay ID NPASS ID Target Activity type Activity