Características Generales
| NatID | 1767 |
| Nombre Común | NatID_1767 |
| Fórmula Molecular | C24H32O4 |
| Tipo Químico | Prenol lipids > Diterpenoids |
| Peso Molecular | 384.230 g/mol |
| Otros nombres | 697234-65-4 |
Representaciones
| Smiles | CC(C)=CCC(O)/C(C)=C/CC/C(C)=C/CC1(O)Oc2cccc(C)c2C1=O |
| Inchi | InChI=1S/C24H32O4/c1-16(2)12-13-20(25)18(4)9-6-8-17(3)14-15-24(27)23(26)22-19(5)10-7-11-21(22)28-24/h7,9-12,14,20,25,27H,6,8,13,15H2,1-5H3/b17-14+,18-9+ |
| Inchi Key | KAPQAECQDBIIBY-MQRUAEGHSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 5.04 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Enlaces Rotables | 8 |
| Anillos aromáticos | 1 |
| Átomos pesados | 28 |
| Carbociclos Aromáticos | 1 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 4 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 10492 | 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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