General Characteristics
2D structure
NatID 1300
Common Name NatID_1300
Molecular Formula C24H32O10
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 480.200 g/mol
Other names

 

Representations
Smiles C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@@](C)(O)[C@@H](OC(C)=O)[C@@]23OC(=O)C(COC(C)=O)=C13
Inchi InChI=1S/C24H32O10/c1-7-12(2)19(27)33-17-10-13(3)23(30)9-8-22(6,29)21(32-15(5)26)24(23)18(17)16(20(28)34-24)11-31-14(4)25/h7,13,17,21,29-30H,8-11H2,1-6H3/b12-7+/t13-,17+,21-,22-,23-,24-/m1/s1
Inchi Key XLWNGNNGOIARMC-YGLUXQSESA-N
3D Structure

 

Calculated Properties
clogP 1.27
TPSA 145.66
HBD 2
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
9607 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