Características Generales
| NatID | 1599 |
| Nombre Común | NatID_1599 |
| Fórmula Molecular | C21H24O5 |
| Tipo Químico | Organooxygen compounds > Carbonyl compounds |
| Peso Molecular | 356.162 g/mol |
| Otros nombres | 68143-86-2 |
Representaciones
| Smiles | C/C=C/c1ccc(OC(C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 |
| Inchi | InChI=1S/C21H24O5/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/h6-14H,1-5H3/b7-6+ |
| Inchi Key | IQQVVIZXMFMANE-VOTSOKGWSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.40 |
| TPSA | 53.99 |
| HBD | 0 |
| 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 |
|---|---|---|---|---|
| 10287 | 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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