General Characteristics
2D structure
NatID 56
Common Name Chemical transformation of Glaucolide B
Molecular Formula C24H30O10
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 478.184 g/mol
Other names

 

Representations
Smiles CC=C(C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12
Inchi InChI=1S/C24H30O10/c1-7-12(2)21(28)31-16-10-24(6,33-14(4)26)17(27)8-9-23(5)20(34-23)19-18(16)15(22(29)32-19)11-30-13(3)25/h7,16,19-20H,8-11H2,1-6H3/t16-,19-,20+,23+,24+/m0/s1
Inchi Key IVMHAUCBWSMYCF-SMRRRKIZSA-N
3D Structure

 

Calculated Properties
clogP 1.88
TPSA 134.80
HBD 0
HBA 10
Rotatable Bonds 5
Aromatic Rings 0
Heavy Atoms 34
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 10

 

Experiments
EID Source Semisynthetic? Confidence level References
9616 Vernonanthura nudiflora No Unknown Bardón, A., Kamiya, N. I., De Ponce De Léon, C. A., Catalán, C. A. N., Díaz, J. G., & Herz, W. (1992). Glaucolides and related sesquiterpene lactones from Vernonia nudiflora and Chrysolaena propinqua. Phytochemistry, 31(2), 609–613. https://doi.org/10.1016/0031-9422(92)90045-r

 

Bioassay ID NPASS ID Target Activity type Activity