General Characteristics
2D structure
NatID 540
Common Name 1β,10β-epoxydehydroleucodin
Molecular Formula C15H16O4
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 260.105 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2C3C(C)=CC(=O)[C@@]34O[C@@]4(C)CC[C@@H]12
Inchi InChI=1S/C15H16O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,9,11-12H,2,4-5H2,1,3H3/t9-,11?,12-,14-,15+/m0/s1
Inchi Key BMKQABSFWXAOAI-HLWCAGJTSA-N
3D Structure

 

Calculated Properties
clogP 1.55
TPSA 55.90
HBD 0
HBA 4
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 19
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9981 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