General Characteristics
2D structure
NatID 162
Common Name Euparin
Molecular Formula C13H12O3
Chemical Class Benzofurans
Molecular Weight 216.079 g/mol
Other names

 

Representations
Smiles C=C(C)c1cc2cc(C(C)=O)c(O)cc2o1
Inchi InChI=1S/C13H12O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4-6,15H,1H2,2-3H3
Inchi Key OPUFDNZTKHPZHM-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 3.37
TPSA 50.44
HBD 1
HBA 3
Rotatable Bonds 2
Aromatic Rings 2
Heavy Atoms 16
Aromatic Carbocycles 1
Aromatic Heterocycles 1
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9903 Acanthostyles buniifolius No High Visintini Jaime, M. F., Campos, R. H., Martino, V. S., Cavallaro, L. V., & Muschietti, L. V. (2013). Antipoliovirus Activity of the Organic Extract ofEupatorium buniifolium: Isolation of Euparin as an Active Compound. Evidence-Based Complementary and Alternative Medicine, 2013, 1–8. https://doi.org/10.1155/2013/402364

 

Bioassay ID NPASS ID Target Activity type Activity