General Characteristics
| NatID | 300 |
| Common Name | Isobellidifolin;1,3,8-Trihydroxy-5-methoxyxanthen-9-one |
| Molecular Formula | C14H10O6 |
| Chemical Class | Benzopyrans > 1-benzopyrans |
| Molecular Weight | 274.048 g/mol |
| Other names | Isobellidifolin 1,3,8-Trihydroxy-5-methoxyxanthen-9-one |
Representations
| Smiles | COc1ccc(O)c2c(=O)c3c(O)cc(O)cc3oc12 |
| Inchi | InChI=1S/C14H10O6/c1-19-9-3-2-7(16)12-13(18)11-8(17)4-6(15)5-10(11)20-14(9)12/h2-5,15-17H,1H3 |
| Inchi Key | QNJCJDZKEAVOBJ-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.07 |
| TPSA | 100.13 |
| HBD | 3 |
| HBA | 6 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 3 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9724 | 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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