General Characteristics
2D structure
NatID 1737
Common Name NatID_1737
Molecular Formula C15H18O2
Chemical Class Prenol lipids > Terpene lactones
Molecular Weight 230.131 g/mol
Other names 80368-26-9

 

Representations
Smiles C=C1C(=O)O[C@H]2C[C@]3(C)[C@@H](C[C@H]12)C(=C)[C@H]1C[C@H]13
Inchi InChI=1S/C15H18O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h9-13H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,15-/m1/s1
Inchi Key PAPZBNZNGBHNQX-GPVWGEJLSA-N
3D Structure

 

Calculated Properties
clogP 2.71
TPSA 26.30
HBD 0
HBA 2
Rotatable Bonds 0
Aromatic Rings 0
Heavy Atoms 17
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
10459 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