General Characteristics
2D structure
NatID 353
Common Name (1S,2R,5S,6S,7S,10R)-1,2,15-Trihydroxyeudesma-3,11(13)-dien-6,12-olide
Molecular Formula C15H20O5
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 280.131 g/mol
Other names 947490-91-7

 

Representations
Smiles C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2C(CO)=C[C@@H](O)[C@@H]1O
Inchi InChI=1S/C15H20O5/c1-7-9-3-4-15(2)11(12(9)20-14(7)19)8(6-16)5-10(17)13(15)18/h5,9-13,16-18H,1,3-4,6H2,2H3/t9-,10+,11+,12-,13-,15+/m0/s1
Inchi Key XKLBERGTXKKUIV-CSWWBCRBSA-N
3D Structure

 

Calculated Properties
clogP 0.15
TPSA 86.99
HBD 3
HBA 5
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 20
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9517 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