General Characteristics
2D structure
NatID 413
Common Name Norpinguisone Methyl Ester
Molecular Formula C15H18O4
Chemical Class Benzofurans
Molecular Weight 262.121 g/mol
Other names 119285-56-2

 

Representations
Smiles COC(=O)[C@@]12Cc3occc3C(=O)[C@]1(C)CC[C@H]2C
Inchi InChI=1S/C15H18O4/c1-9-4-6-14(2)12(16)10-5-7-19-11(10)8-15(9,14)13(17)18-3/h5,7,9H,4,6,8H2,1-3H3/t9-,14+,15+/m1/s1
Inchi Key HKOZPZRWAYCCLH-NKZPBKNFSA-N
3D Structure

 

Calculated Properties
clogP 2.61
TPSA 56.51
HBD 0
HBA 4
Rotatable Bonds 1
Aromatic Rings 1
Heavy Atoms 19
Aromatic Carbocycles 0
Aromatic Heterocycles 1
Number of NO 4

 

Experiments
EID Source Semisynthetic? Confidence level References
9838 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