Características Generales
| NatID | 1300 |
| Nombre Común | NatID_1300 |
| Fórmula Molecular | C24H32O10 |
| Tipo Químico | Prenol lipids > Terpene lactones |
| Peso Molecular | 480.200 g/mol |
| Otros nombres |
Representaciones
| Smiles | C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@@](C)(O)[C@@H](OC(C)=O)[C@@]23OC(=O)C(COC(C)=O)=C13 |
| Inchi | InChI=1S/C24H32O10/c1-7-12(2)19(27)33-17-10-13(3)23(30)9-8-22(6,29)21(32-15(5)26)24(23)18(17)16(20(28)34-24)11-31-14(4)25/h7,13,17,21,29-30H,8-11H2,1-6H3/b12-7+/t13-,17+,21-,22-,23-,24-/m1/s1 |
| Inchi Key | XLWNGNNGOIARMC-YGLUXQSESA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 1.27 |
| TPSA | 145.66 |
| HBD | 2 |
| 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 |
|---|---|---|---|---|
| 9607 | Vernonanthura nudiflora | No | Unknown | Bardón, A., Kamiya, N. I., De Ponce De Léon, C. A., Catalán, C. A. N., Díaz, J. G., & Herz, W. (1992). Glaucolides and related sesquiterpene lactones from Vernonia nudiflora and Chrysolaena propinqua. Phytochemistry, 31(2), 609–613. https://doi.org/10.1016/0031-9422(92)90045-r |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||