Características Generales
| NatID | 235 |
| Nombre Común | Derivate of glaucolide B |
| Fórmula Molecular | C22H28O10 |
| Tipo Químico | Prenol lipids > Terpene lactones |
| Peso Molecular | 452.168 g/mol |
| Otros nombres |
Representaciones
| Smiles | CCC(=O)O[C@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 |
| Inchi | InChI=1S/C22H28O10/c1-6-16(26)29-14-9-22(5,31-12(3)24)15(25)7-8-21(4)19(32-21)18-17(14)13(20(27)30-18)10-28-11(2)23/h14,18-19H,6-10H2,1-5H3/t14-,18-,19+,21+,22+/m0/s1 |
| Inchi Key | NLBVKOUQJBBHNV-PFVFOGIHSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 1.33 |
| TPSA | 134.80 |
| HBD | 0 |
| HBA | 10 |
| Enlaces Rotables | 5 |
| Anillos aromáticos | 0 |
| Átomos pesados | 32 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 10 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9337 | Baccharis scandens | No | Unknown | Borkosky, S., Valdés, D. A., Bardón, A., Díaz, J. G., & Herz, W. (1996). Sesquiterpene lactones and other constituents of eirmocephala megaphylla and Cyrtocymura cincta. Phytochemistry, 42(6), 1637–1639. https://doi.org/10.1016/0031-9422(96)82943-8 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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