General Characteristics
| NatID | 342 |
| Common Name | Santin |
| Molecular Formula | C18H16O7 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 344.090 g/mol |
| Other names |
Representations
| Smiles | COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1 |
| Inchi | InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3 |
| Inchi Key | DWZAJFZEYZIHPO-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.90 |
| TPSA | 98.36 |
| HBD | 2 |
| HBA | 7 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 3 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 1 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10013 | Acanthostyles buniifolius | No | Unknown | Sülsen, V. P., Muschietti, L. V., Martino, V. S., Malchiodi, E. L., Anesini, C. A., Coussio, J. D., Redko, F. C., Frank, F. M., & Cazorla, S. I. (2007). Trypanocidal and Leishmanicidal Activities of Flavonoids from Argentine Medicinal Plants. The American Journal of Tropical Medicine and Hygiene, 77(4), 654–659. https://doi.org/10.4269/ajtmh.2007.77.654 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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