General Characteristics
2D structure
NatID 1238
Common Name NatID_1238
Molecular Formula C15H20O4
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 264.136 g/mol
Other names 947490-90-6

 

Representations
Smiles C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](O)CC=C(CO)[C@H]21
Inchi InChI=1S/C15H20O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h3,10-13,16-17H,1,4-7H2,2H3/t10-,11-,12+,13-,15-/m0/s1
Inchi Key WUDUHFPSNBSHMA-AIUMHDJVSA-N
3D Structure

 

Calculated Properties
clogP 1.18
TPSA 66.76
HBD 2
HBA 4
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 19
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9520 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