General Characteristics
2D structure
NatID 348
Common Name (1S,4S,5S,6S,7S,10R)-1,4-Dihydroxy-15-acetoxyeudesm-11(13)-en-6,12-olide
Molecular Formula C17H24O6
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 324.157 g/mol
Other names 947490-85-9

 

Representations
Smiles C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](O)CC[C@@](O)(COC(C)=O)[C@H]21
Inchi InChI=1S/C17H24O6/c1-9-11-4-6-16(3)12(19)5-7-17(21,8-22-10(2)18)14(16)13(11)23-15(9)20/h11-14,19,21H,1,4-8H2,2-3H3/t11-,12-,13-,14+,16-,17+/m0/s1
Inchi Key ARSVQELFNGVTKE-PQTQVYOHSA-N
3D Structure

 

Calculated Properties
clogP 0.95
TPSA 93.06
HBD 2
HBA 6
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 23
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9519 Mikania campanulata No Very High Krautmann, M., de Riscala, E. C., Burgueño-Tapia, E., Mora-Pérez, Y., Catalán, C. A. N., & Joseph-Nathan, P. (2007). C-15-Functionalized Eudesmanolides from Mikania campanulata. Journal of Natural Products, 70(7), 1173–1179. https://doi.org/10.1021/np070154t

 

Bioassay ID NPASS ID Target Activity type Activity