Características Generales
| NatID | 1435 |
| Nombre Común | NatID_1435 |
| Fórmula Molecular | C24H30O10 |
| Tipo Químico | Prenol lipids > Terpene lactones |
| Peso Molecular | 478.184 g/mol |
| Otros nombres | 52229-61-5 |
Representaciones
| Smiles | CC=C(C)C(=O)OC1CC(C)(OC(C)=O)C(=O)CCC2(C)OC2C2OC(=O)C(COC(C)=O)=C12 |
| Inchi | InChI=1S/C24H30O10/c1-7-12(2)21(28)31-16-10-24(6,33-14(4)26)17(27)8-9-23(5)20(34-23)19-18(16)15(22(29)32-19)11-30-13(3)25/h7,16,19-20H,8-11H2,1-6H3 |
| Inchi Key | IVMHAUCBWSMYCF-UHFFFAOYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 1.88 |
| TPSA | 134.80 |
| HBD | 0 |
| HBA | 10 |
| Enlaces Rotables | 5 |
| Anillos aromáticos | 0 |
| Átomos pesados | 34 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 10 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10069 | Lessingianthus mollissimus | No | Unknown | Catalán, C. A. N., de Iglesias, D. I. A., Kavka, J., Sosa, V. E., & Herz, W. (1986). Sesquiterpene Lactones and Other Constituents of Vernonia mollissima and Vernonia squamulosa. Journal of Natural Products, 49(2), 351–353. https://doi.org/10.1021/np50044a031 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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