General Characteristics
2D structure
NatID 1131
Common Name NatID_1131
Molecular Formula C20H26O8
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 394.163 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2[C@@H](O)[C@@](C)(O)C[C@@H]3C(=O)[C@](C)(O)C[C@H](OC(=O)/C(C)=C/C)[C@]132
Inchi InChI=1S/C20H26O8/c1-6-9(2)16(23)27-12-8-19(5,26)13(21)11-7-18(4,25)14(22)15-20(11,12)10(3)17(24)28-15/h6,11-12,14-15,22,25-26H,3,7-8H2,1-2,4-5H3/b9-6+/t11-,12+,14-,15-,18+,19-,20+/m1/s1
Inchi Key DNABKRHNUZQJAR-KCVSFKBBSA-N
3D Structure

 

Calculated Properties
clogP 0.19
TPSA 130.36
HBD 3
HBA 8
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 28
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
9314 Vernonanthura pinguis No Unknown Borkosky, S., Bardón, A., Catalán, C. A. N., Díaz, J. G., & Herz, W. (1997). Glaucolides, hirsutinolides and other sesquiterpene lactones from Vernonanthura pinguis. Phytochemistry, 44(3), 465–470. https://doi.org/10.1016/s0031-9422(96)00481-5

 

Bioassay ID NPASS ID Target Activity type Activity