General Characteristics
2D structure
NatID 1736
Common Name NatID_1736
Molecular Formula C15H18O3
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 246.126 g/mol
Other names 80368-25-8

 

Representations
Smiles C=C1[C@H]2C[C@H]2[C@]2(C)C[C@@H]3OC(=O)C(CO)=C3C[C@@H]12
Inchi InChI=1S/C15H18O3/c1-7-8-3-12(8)15(2)5-13-9(4-11(7)15)10(6-16)14(17)18-13/h8,11-13,16H,1,3-6H2,2H3/t8-,11+,12-,13+,15-/m1/s1
Inchi Key LKDRIEFYPIJMMW-BOOWFZGHSA-N
3D Structure

 

Calculated Properties
clogP 1.82
TPSA 46.53
HBD 1
HBA 3
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 18
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
10458 Hyalis argentea var. latisquama No Low Fernández, L. R., Butassi, E., Svetaz, L., Zacchino, S. A., Palermo, J. A., & Sánchez, M. (2014). Antifungal Terpenoids from Hyalis argentea var. latisquama. Journal of Natural Products, 77(7), 1579–1585. https://doi.org/10.1021/np500032u

 

Bioassay ID NPASS ID Target Activity type Activity