General Characteristics
2D structure
NatID 350
Common Name (1S,4R,5S,6S,7S,10R)-1,15-Diacetoxy-4-hydroxyeudesm-11(13)-en-6,12-olide
Molecular Formula C19H26O7
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 366.168 g/mol
Other names 947490-88-2

 

Representations
Smiles C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](OC(C)=O)CC[C@](O)(COC(C)=O)[C@H]21
Inchi InChI=1S/C19H26O7/c1-10-13-5-7-18(4)14(25-12(3)21)6-8-19(23,9-24-11(2)20)16(18)15(13)26-17(10)22/h13-16,23H,1,5-9H2,2-4H3/t13-,14-,15-,16+,18-,19-/m0/s1
Inchi Key VUVRYVOGGAELIO-NPWKVKMJSA-N
3D Structure

 

Calculated Properties
clogP 1.52
TPSA 99.13
HBD 1
HBA 7
Rotatable Bonds 3
Aromatic Rings 0
Heavy Atoms 26
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 7

 

Experiments
EID Source Semisynthetic? Confidence level References
9518 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