General Characteristics
2D structure
NatID 1724
Common Name NatID_1724
Molecular Formula C15H18O3
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 246.126 g/mol
Other names 16838-87-2

 

Representations
Smiles C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](O)C(=C)[C@H]21
Inchi InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1
Inchi Key XFVLNEYIZGZDHP-PEDHHIEDSA-N
3D Structure

 

Calculated Properties
clogP 1.99
TPSA 46.53
HBD 1
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
10446 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