Características Generales
| NatID | 51 |
| Nombre Común | Xantomicrol |
| Fórmula Molecular | C18H16O7 |
| Tipo Químico | Flavonoids > O-methylated flavonoids |
| Peso Molecular | 344.090 g/mol |
| Otros nombres |
Representaciones
| Smiles | COc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC |
| Inchi | InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3 |
| Inchi Key | SAMBWAJRKKEEOR-UHFFFAOYSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.90 |
| TPSA | 98.36 |
| HBD | 2 |
| HBA | 7 |
| Enlaces Rotables | 4 |
| Anillos aromáticos | 3 |
| Átomos pesados | 25 |
| Carbociclos Aromáticos | 2 |
| Heterociclos Aromáticos | 1 |
| Número de NO | 7 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10033 | Baccharis tucumanensis | No | High | Tonn, C. E., Rossomando, P. C., & Giordano, O. S. (1982). Batudioic acid and flavonoids from Baccharis tucumanensis. Phytochemistry, 21(10), 2599–2600. https://doi.org/10.1016/0031-9422(82)85268-0 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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