General Characteristics
2D structure
NatID 677
Common Name dihydroleucodin
Molecular Formula C15H16O3
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 244.110 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2C3C(C)=CC(=O)C3=C(C)CC[C@@H]12
Inchi InChI=1S/C15H16O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,10,13-14H,3-5H2,1-2H3/t10-,13?,14-/m0/s1
Inchi Key SKNVIAFTENCNGB-LZRTYROISA-N
3D Structure

 

Calculated Properties
clogP 2.34
TPSA 43.37
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
9982 Artemisia douglasiana No High Rodriguez, G., Pestchanker, L. J., Pestchanker, M. J., & Giordano, O. S. (1990). Guaianolides and other constituents from Artemisia douglasiana. Phytochemistry, 29(9), 3028–3029. https://doi.org/10.1016/0031-9422(90)87129-i

 

Bioassay ID NPASS ID Target Activity type Activity