General Characteristics
2D structure
NatID 338
Common Name Uvedalin
Molecular Formula C23H28O9
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 448.173 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12
Inchi InChI=1S/C23H28O9/c1-11-8-7-9-15(21(26)28-6)18(29-14(4)24)19(31-22(27)23(5)13(3)32-23)17-12(2)20(25)30-16(17)10-11/h9-10,13,16-19H,2,7-8H2,1,3-6H3/t13-,16-,17+,18+,19+,23-/m1/s1
Inchi Key JIEVJXRUYDZFTD-WCYLCQRGSA-N
3D Structure

 

Calculated Properties
clogP 1.94
TPSA 117.73
HBD 0
HBA 9
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 32
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 9

 

Experiments
EID Source Semisynthetic? Confidence level References
9978 Smallanthus sonchifolius No High Frank, F. M., Ulloa, J., Cazorla, S. I., Maravilla, G., Malchiodi, E. L., Grau, A., Martino, V., Catalán, C., & Muschietti, L. V. (2013). Trypanocidal Activity ofSmallanthus sonchifolius: Identification of Active Sesquiterpene Lactones by Bioassay-Guided Fractionation. Evidence-Based Complementary and Alternative Medicine, 2013, 1–8. https://doi.org/10.1155/2013/627898

 

Bioassay ID NPASS ID Target Activity type Activity