General Characteristics
2D structure
NatID 46
Common Name Dihydroparthenolide
Molecular Formula C15H22O3
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 250.157 g/mol
Other names

 

Representations
Smiles CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1
Inchi InChI=1S/C15H22O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,10-13H,4,6-8H2,1-3H3/t10-,11-,12-,13+,15+/m0/s1
Inchi Key GSVWPONNFJXHJL-XOBFJNJYSA-N
3D Structure

 

Calculated Properties
clogP 2.84
TPSA 38.83
HBD 0
HBA 3
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 18
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9296 Ambrosia artemisiifolia var. elatior No Unknown Silva, G. L., Oberti, J. C., & Herz, W. (1992). Sesquiterpene lactones and other constituents of argentine Ambrosia species. Phytochemistry, 31(3), 859–861. https://doi.org/10.1016/0031-9422(92)80029-e

 

Bioassay ID NPASS ID Target Activity type Activity