General Characteristics
2D structure
NatID 29
Common Name Oplopanone
Molecular Formula C16H28O2
Chemical Class Prenol lipids > Monoterpenoids
Molecular Weight 252.209 g/mol
Other names

 

Representations
Smiles CC(=O)[C@H]1CC[C@@H]2[C@@H]1[C@H](C(C)C)CCC[C@@]2(C)O
Inchi InChI=1S/C16H28O2/c1-10(2)12-6-5-9-16(4,18)14-8-7-13(11(3)17)15(12)14/h10,12-15,18H,5-9H2,1-4H3/t12-,13+,14+,15+,16+/m0/s1
Inchi Key BMUDQCQRJNAEGG-UYJHQMFVSA-N
3D Structure

 

Calculated Properties
clogP 3.42
TPSA 37.30
HBD 1
HBA 2
Rotatable Bonds 2
Aromatic Rings 0
Heavy Atoms 18
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9780 Aldama tucumanensis No High Meragelman, K. M., Espinar, L. A., Sosa, V. E., Uriburu, M. L., & de la Fuente, J. R. (1996). Terpenoid constituents of Viguiera tucumanensis. Phytochemistry, 41(2), 499–502. https://doi.org/10.1016/0031-9422(95)00584-6

 

Bioassay ID NPASS ID Target Activity type Activity