Características Generales
| NatID | 506 |
| Nombre Común | penduletina |
| Fórmula Molecular | C18H16O7 |
| Tipo Químico | Flavonoids > O-methylated flavonoids |
| Peso Molecular | 344.090 g/mol |
| Otros nombres | 569-80-2 |
Representaciones
| Smiles | COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC |
| Inchi | InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3 |
| Inchi Key | YSXFFLGRZJWNFM-UHFFFAOYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.90 |
| TPSA | 98.36 |
| HBD | 2 |
| HBA | 7 |
| Enlaces Rotables | 4 |
| Anillos aromáticos | 3 |
| Átomos pesados | 25 |
| Carbociclos Aromáticos | 2 |
| Heterociclos Aromáticos | 1 |
| Número de NO | 7 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10023 | Tessaria integrifolia | No | Unknown | Guerreiro, E., Pestchanker, M. J., Vitto, L. D., & Giordano, O. S. (1990). Sesquiterpenes and flavonoids from Tessaria species. Phytochemistry, 29(3), 877–879. https://doi.org/10.1016/0031-9422(90)80037-h |
| 10107 | Acanthospermum australe | No | Low | Debenedetti, S., Martino, V., Palacios, P., & Coussio, J. D. (1987). 6-Methoxy Flavonoids from Acanthospermum australe. Journal of Natural Products, 50(2), 325–325. https://doi.org/10.1021/np50050a054 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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