Características Generales
| NatID | 1758 |
| Nombre Común | NatID_1758 |
| Fórmula Molecular | C21H26O5 |
| Tipo Químico | |
| Peso Molecular | 358.178 g/mol |
| Otros nombres | 68143-83-9 |
Representaciones
| Smiles | C/C=C/c1ccc(O[C@@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 |
| Inchi | InChI=1S/C21H26O5/c1-6-7-15-8-10-18(19(12-15)24-4)26-14(2)21(22)16-9-11-17(23-3)20(13-16)25-5/h6-14,21-22H,1-5H3/b7-6+/t14-,21+/m0/s1 |
| Inchi Key | NUDWCJJMQATDKB-NPNYKPOCSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.25 |
| TPSA | 57.15 |
| HBD | 1 |
| HBA | 5 |
| Enlaces Rotables | 8 |
| Anillos aromáticos | 2 |
| Átomos pesados | 26 |
| Carbociclos Aromáticos | 2 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 5 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10482 | Virola surinamensis | No | Low | Zacchino, S. A. (1994). Enantioselective Route to Threo 8.0.4’-Type Neolignans: Synthesis of (-)-Virolin. Journal of Natural Products, 57(4), 446–451. https://doi.org/10.1021/np50106a002 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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