General Characteristics
2D structure
NatID 1715
Common Name NatID_1715
Molecular Formula C15H20O2
Chemical Class Pyrans > Pyranones and derivatives
Molecular Weight 232.146 g/mol
Other names 73019-81-5

 

Representations
Smiles CC1(C)CC2CC2(C)C2=CC(=O)C3(C)OC23C1
Inchi InChI=1S/C15H20O2/c1-12(2)6-9-7-13(9,3)10-5-11(16)14(4)15(10,8-12)17-14/h5,9H,6-8H2,1-4H3
Inchi Key MPKJWXWMWZURIW-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 2.87
TPSA 29.60
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
10437 Porella swartziana No Low Bovi Mitre, G., Kamiya, N., Bardón, A., & Asakawa, Y. (2003). Africane-Type Sesquiterpenoids from the Argentine Liverwort Porella swartziana and Their Antibacterial Activity. Journal of Natural Products, 67(1), 31–36. https://doi.org/10.1021/np030074z

 

Bioassay ID NPASS ID Target Activity type Activity