Características Generales
| NatID | 1597 |
| Nombre Común | NatID_1597 |
| Fórmula Molecular | C10H12NaO2 |
| Tipo Químico | Phenols > Methoxyphenols |
| Peso Molecular | 187.073 g/mol |
| Otros nombres | 55435-12-6 |
Representaciones
| Smiles | C/C=C/c1ccc(O)c(OC)c1.[Na] |
| Inchi | InChI=1S/C10H12O2.Na/c1-3-4-8-5-6-9(11)10(7-8)12-2;/h3-7,11H,1-2H3;/b4-3+; |
| Inchi Key | ICIJQMIXITYDBE-BJILWQEISA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.05 |
| TPSA | 29.46 |
| HBD | 1 |
| HBA | 2 |
| Enlaces Rotables | 2 |
| Anillos aromáticos | 1 |
| Átomos pesados | 13 |
| Carbociclos Aromáticos | 1 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 2 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10285 | Virola surinamensis | No | Low | Zacchino, S. A., & Badano, H. (1985). Stereoselective Synthesis of 8.0.4’ Neolignans: (±)-Surinamensin and (±)-Virolin. Journal of Natural Products, 48(5), 830–832. https://doi.org/10.1021/np50041a024 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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