General Characteristics
2D structure
NatID 411
Common Name Norpinguisone
Molecular Formula C14H18O2
Chemical Class Benzofurans
Molecular Weight 218.131 g/mol
Other names

 

Representations
Smiles C[C@@H]1CC[C@@]2(C)C(=O)c3ccoc3C[C@@]12C
Inchi InChI=1S/C14H18O2/c1-9-4-6-13(2)12(15)10-5-7-16-11(10)8-14(9,13)3/h5,7,9H,4,6,8H2,1-3H3/t9-,13+,14+/m1/s1
Inchi Key CSUSIQBEPMPDCP-IIMNLJJBSA-N
3D Structure

 

Calculated Properties
clogP 3.46
TPSA 30.21
HBD 0
HBA 2
Rotatable Bonds 0
Aromatic Rings 1
Heavy Atoms 16
Aromatic Carbocycles 0
Aromatic Heterocycles 1
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9836 Porella chilensis No High Gilabert, M., Ramos, A. N., Schiavone, M. M., Arena, M. E., & Bardón, A. (2011). Bioactive Sesqui- and Diterpenoids from the Argentine LiverwortPorella chilensis. Journal of Natural Products, 74(4), 574–579. https://doi.org/10.1021/np100472d

 

Bioassay ID NPASS ID Target Activity type Activity