General Characteristics
| NatID | 297 |
| Common Name | Swerchirin |
| Molecular Formula | C15H12O6 |
| Chemical Class | Benzopyrans > 1-benzopyrans |
| Molecular Weight | 288.063 g/mol |
| Other names |
Representations
| Smiles | COc1cc(O)c2c(=O)c3c(O)ccc(OC)c3oc2c1 |
| Inchi | InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-15-10(20-2)4-3-8(16)13(15)14(12)18/h3-6,16-17H,1-2H3 |
| Inchi Key | GNSHHHWDGOHNPC-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.37 |
| TPSA | 89.13 |
| HBD | 2 |
| HBA | 6 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 3 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9725 | Gentianella multicaulis | No | Very High | Lima, B., Sánchez, M., Luna, L., Agüero, M. B., Zacchino, S., Filippa, E., Palermo, J. A., Tapia, A., & Feresin, G. E. (2012). Antimicrobial and Antioxidant Activities of Gentianella multicaulis Collected on the Andean Slopes of San Juan Province, Argentina. Zeitschrift Für Naturforschung C, 67(1–2), 29–38. https://doi.org/10.1515/znc-2012-1-205 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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