Características Generales
| NatID | 343 |
| Nombre Común | Hispidulin |
| Fórmula Molecular | C16H12O6 |
| Tipo Químico | Flavonoids > O-methylated flavonoids |
| Peso Molecular | 300.063 g/mol |
| Otros nombres | hispidulina |
Representaciones
| Smiles | COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O |
| Inchi | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 |
| Inchi Key | IHFBPDAQLQOCBX-UHFFFAOYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.59 |
| TPSA | 100.13 |
| HBD | 3 |
| HBA | 6 |
| Enlaces Rotables | 2 |
| Anillos aromáticos | 3 |
| Átomos pesados | 22 |
| Carbociclos Aromáticos | 2 |
| Heterociclos Aromáticos | 1 |
| Número de NO | 6 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10012 | 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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