Características Generales
| NatID | 460 |
| Nombre Común | (3R,5'S,7R,8R,8aS)-5'-(Furan-3-yl)-3-hydroxy-4,4,7-trimethylspiro[1,2,3,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2'-one |
| Fórmula Molecular | C20H26O4 |
| Tipo Químico | Prenol lipids > Terpene lactones |
| Peso Molecular | 330.183 g/mol |
| Otros nombres |
Representaciones
| Smiles | C[C@@H]1CC=C2[C@H](CC[C@@H](O)C2(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O |
| Inchi | InChI=1S/C20H26O4/c1-12-4-5-14-15(6-7-17(21)19(14,2)3)20(12)10-16(24-18(20)22)13-8-9-23-11-13/h5,8-9,11-12,15-17,21H,4,6-7,10H2,1-3H3/t12-,15+,16+,17-,20-/m1/s1 |
| Inchi Key | WVRDZXWBGHINPN-QLKOVTILSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.02 |
| TPSA | 59.67 |
| HBD | 1 |
| HBA | 4 |
| Enlaces Rotables | 1 |
| Anillos aromáticos | 1 |
| Átomos pesados | 24 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 1 |
| Número de NO | 4 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9354 | Nardophyllum bryoides | No | Very High | Sánchez, M., Mazzuca, M., Veloso, M. J., Fernández, L. R., Siless, G., Puricelli, L., & Palermo, J. A. (2010). Cytotoxic terpenoids from Nardophyllum bryoides. Phytochemistry, 71(11–12), 1395–1399. https://doi.org/10.1016/j.phytochem.2010.04.019 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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