General Characteristics
2D structure
NatID 66
Common Name (1S*,4R*,8S*,10R*)-1,4-Epoxy-8,10-diacetoxy-1-formyloxy-13-hydroxygermacra-5E,7(11)-dien-6,12-elide
Molecular Formula C18H22O9
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 382.126 g/mol
Other names

 

Representations
Smiles CC(=O)O[C@H]1C[C@@](C)(O)[C@]2(OC=O)CC[C@](C)(C=C3OC(=O)C(CO)=C31)O2
Inchi InChI=1S/C18H22O9/c1-10(21)25-13-7-17(3,23)18(24-9-20)5-4-16(2,27-18)6-12-14(13)11(8-19)15(22)26-12/h6,9,13,19,23H,4-5,7-8H2,1-3H3/t13-,16+,17+,18-/m0/s1
Inchi Key DHSGPJSOXBUHNM-LIRZEXBASA-N
3D Structure

 

Calculated Properties
clogP 0.24
TPSA 128.59
HBD 2
HBA 9
Rotatable Bonds 4
Aromatic Rings 0
Heavy Atoms 27
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 9

 

Experiments
EID Source Semisynthetic? Confidence level References
9619 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