Características Generales
| NatID | 1558 |
| Nombre Común | NatID_1558 |
| Fórmula Molecular | C19H16ClNO4 |
| Tipo Químico | Indoles and derivatives > Benzoylindoles |
| Peso Molecular | 357.077 g/mol |
| Otros nombres | 53-86-1 |
Representaciones
| Smiles | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 |
| Inchi | InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
| Inchi Key | CGIGDMFJXJATDK-UHFFFAOYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.93 |
| TPSA | 68.53 |
| HBD | 1 |
| HBA | 4 |
| Enlaces Rotables | 4 |
| Anillos aromáticos | 3 |
| Átomos pesados | 25 |
| Carbociclos Aromáticos | 2 |
| Heterociclos Aromáticos | 1 |
| Número de NO | 5 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10239 | Artemisia douglasiana | No | Low | Guardia, T., Guzman, J. A., Pestchanker, M. J., Guerreiro, E., & Giordano, O. S. (1994). Mucus Synthesis and Sulfhydryl Groups in Cytoprotection Mediated by Dehydroleucodine, a Sesquiterpene Lactone. Journal of Natural Products, 57(4), 507–509. https://doi.org/10.1021/np50106a010 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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