General Characteristics
| NatID | 298 |
| Common Name | Demethylbellidifolin;1,3,5,8-Tetrahydroxyxanthone |
| Molecular Formula | C13H8O6 |
| Chemical Class | Benzopyrans > 1-benzopyrans |
| Molecular Weight | 260.032 g/mol |
| Other names | Demethylbellidifolin 1,3,5,8-Tetrahydroxyxanthone |
Representations
| Smiles | O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12 |
| Inchi | InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H |
| Inchi Key | MPXAWSABMVLIBU-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.77 |
| TPSA | 111.13 |
| HBD | 4 |
| HBA | 6 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 3 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9723 | 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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