Características Generales
| NatID | 85 |
| Nombre Común | 5-Hydroxy-6,7-methylenedioxycoumarin |
| Fórmula Molecular | C10H6O5 |
| Tipo Químico | Coumarins and derivatives |
| Peso Molecular | 206.022 g/mol |
| Otros nombres |
Representaciones
| Smiles | O=c1ccc2c(O)c3c(cc2o1)OCO3 |
| Inchi | InChI=1S/C10H6O5/c11-8-2-1-5-6(15-8)3-7-10(9(5)12)14-4-13-7/h1-3,12H,4H2 |
| Inchi Key | CUCANHJJZRRISJ-UHFFFAOYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 1.23 |
| TPSA | 68.90 |
| HBD | 1 |
| HBA | 5 |
| Enlaces Rotables | 0 |
| Anillos aromáticos | 2 |
| Átomos pesados | 15 |
| Carbociclos Aromáticos | 1 |
| Heterociclos Aromáticos | 1 |
| Número de NO | 5 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9921 | Pterocaulon virgatum | No | High | Maes, D., Debenedetti, S., & De Kimpe, N. (2006). New coumarins from Pterocaulon virgatum (L.) DC. Biochemical Systematics and Ecology, 34(2), 165–169. https://doi.org/10.1016/j.bse.2005.09.001 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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