General Characteristics
2D structure
NatID 1666
Common Name NatID_1666
Molecular Formula C15H20O4
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 264.136 g/mol
Other names 2571-81-5

 

Representations
Smiles C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@@]21C
Inchi InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1
Inchi Key GEUJJEYGSRWXPC-JISBIHODSA-N
3D Structure

 

Calculated Properties
clogP 1.61
TPSA 63.60
HBD 1
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
10369 Abobra tenuifolia No Low Silva, G. L., & Goleniowski, M. E. (1994). Stimulants and Inhibitors of Psilostachyinolide Production in Callus Culture. Journal of Natural Products, 57(2), 225–229. https://doi.org/10.1021/np50104a005

 

Bioassay ID NPASS ID Target Activity type Activity