General Characteristics
2D structure
NatID 702
Common Name psilostachyin C
Molecular Formula C15H20O4
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 264.136 g/mol
Other names

 

Representations
Smiles C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)C1CCC(=O)O[C@]12C
Inchi InChI=1S/C15H20O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10-,11?,13+,15+/m0/s1
Inchi Key FZYIWDQVFMUXPW-NAKOOTAQSA-N
3D Structure

 

Calculated Properties
clogP 2.23
TPSA 52.60
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
9770 Ambrosia scabra No Unknown Sülsen, V. P., & Martino, V. S. (2018). Sesquiterpene Lactones. Springer Cham, https://doi.org/10.1007/978-3-319-78274-4 Barrera, P., Sülsen, V. P., Lozano, E., Rivera, M., Beer, M. F., Tonn, C., Martino, V. S., & Sosa, M. A. (2013). Natural Sesquiterpene Lactones Induce Oxidative Stress inLeishmania mexicana. Evidence-Based Complementary and Alternative Medicine, 2013, 1–6. https://doi.org/10.1155/2013/163404

 

Bioassay ID NPASS ID Target Activity type Activity