Características Generales
| NatID | 597 |
| Nombre Común | 2’,4’-dihydroxy-3-methoxy-chalcone |
| Fórmula Molecular | C16H14O4 |
| Tipo Químico | Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones |
| Peso Molecular | 270.089 g/mol |
| Otros nombres |
Representaciones
| Smiles | COc1cc(O)cc(O)c1C(=O)/C=C/c1ccccc1 |
| Inchi | InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+ |
| Inchi Key | NYSZJNUIVUBQMM-BQYQJAHWSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 3.00 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Enlaces Rotables | 4 |
| Anillos aromáticos | 2 |
| Átomos pesados | 20 |
| Carbociclos Aromáticos | 2 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 4 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9791 | Zuccagnia punctata | No | High | Pederiva, R., & Giordano, O. S. (1984). 37-Dihydroxy-8-methoxyflavone from Zuccagnia punctata. Phytochemistry, 23(6), 1340–1341. https://doi.org/10.1016/s0031-9422(00)80459-8 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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