General Characteristics
2D structure
NatID 412
Common Name Norpinguisone Acetate
Molecular Formula C16H20O4
Chemical Class Benzofurans
Molecular Weight 276.136 g/mol
Other names 158921-71-2

 

Representations
Smiles CC(=O)OC[C@@]12Cc3occc3C(=O)[C@]1(C)CC[C@H]2C
Inchi InChI=1S/C16H20O4/c1-10-4-6-15(3)14(18)12-5-7-19-13(12)8-16(10,15)9-20-11(2)17/h5,7,10H,4,6,8-9H2,1-3H3/t10-,15+,16-/m1/s1
Inchi Key IUFYKFUROQQFKO-HPEXNQPKSA-N
3D Structure

 

Calculated Properties
clogP 3.00
TPSA 56.51
HBD 0
HBA 4
Rotatable Bonds 2
Aromatic Rings 1
Heavy Atoms 20
Aromatic Carbocycles 0
Aromatic Heterocycles 1
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9837 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