General Characteristics
| 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 |
|---|---|---|---|---|
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