Características Generales
| NatID | 356 |
| Nombre Común | 6-Hydroxytremetone |
| Fórmula Molecular | C13H14O3 |
| Tipo Químico | Benzene and substituted derivatives > Acetophenones |
| Peso Molecular | 218.094 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=C(C)[C@H]1Cc2cc(C(C)=O)c(O)cc2O1 |
| Inchi | InChI=1S/C13H14O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4,6,12,15H,1,5H2,2-3H3/t12-/m1/s1 |
| Inchi Key | FHJSLVLVJPGFRY-GFCCVEGCSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.47 |
| TPSA | 46.53 |
| HBD | 1 |
| HBA | 3 |
| Enlaces Rotables | 2 |
| Anillos aromáticos | 1 |
| Átomos pesados | 16 |
| Carbociclos Aromáticos | 1 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 3 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9077 | Xenophyllum incisum | No | Very High | de Marchese, M. J. A., Heluani, C. S. de, Catalán, C. A. N., Griffin, C. A., Vaughn, J. B., & Herz, W. (2007). Incisol, an alcohol with a novel sesquiterpene skeleton from Xenophyllum incisum. Biochemical Systematics and Ecology, 35(3), 169–175. https://doi.org/10.1016/j.bse.2006.10.006 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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