Características Generales
| NatID | 1766 |
| Nombre Común | NatID_1766 |
| Fórmula Molecular | C24H30O5 |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 398.209 g/mol |
| Otros nombres | 697234-64-3 |
Representaciones
| Smiles | C/C(=C\CC1(O)Oc2cccc(C)c2C1=O)CC/C=C(\C)C(=O)/C=C/C(C)(C)O |
| Inchi | InChI=1S/C24H30O5/c1-16(8-6-9-17(2)19(25)13-14-23(4,5)27)12-15-24(28)22(26)21-18(3)10-7-11-20(21)29-24/h7,9-14,27-28H,6,8,15H2,1-5H3/b14-13+,16-12+,17-9+ |
| Inchi Key | GVTHSGZHUOJHBB-GCCVESNXSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 4.22 |
| TPSA | 83.83 |
| HBD | 2 |
| HBA | 5 |
| Enlaces Rotables | 8 |
| Anillos aromáticos | 1 |
| Átomos pesados | 29 |
| Carbociclos Aromáticos | 1 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 5 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10491 | Mutisia friesiana | No | Low | Viturro, C. I., de la Fuente, J. R., & Maier, M. S. (2004). 5-Methylcoumaranones from Mutisia friesiana and Their Bioactivity. Journal of Natural Products, 67(5), 778–782. https://doi.org/10.1021/np0304058 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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