Características Generales
| NatID | 73 |
| Nombre Común | Ilicol |
| Fórmula Molecular | C15H26O2 |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 238.193 g/mol |
| Otros nombres | ilicol |
Representaciones
| Smiles | C=C(CO)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 |
| Inchi | InChI=1S/C15H26O2/c1-11(10-16)12-5-8-14(2)6-4-7-15(3,17)13(14)9-12/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13-,14-,15-/m1/s1 |
| Inchi Key | RMARCXQAHOJNRB-KBUPBQIOSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.89 |
| TPSA | 40.46 |
| HBD | 2 |
| HBA | 2 |
| Enlaces Rotables | 2 |
| Anillos aromáticos | 0 |
| Átomos pesados | 17 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 2 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9399 | Flourensia oolepis | No | Very High | Guerreiro, E., Kavka, J., Giordano, O. S., & Gros, E. G. (1979). Sesquiterpenoids and flavonoids from Flourensia oolepis. Phytochemistry, 18(7), 1235–1237. https://doi.org/10.1016/0031-9422(79)80148-x |
| 9760 | Tessaria absinthioides | No | Unknown | León, L. G., Donadel, O. J., Tonn, C. E., & Padrón, J. M. (2009). Tessaric acid derivatives induce G2/M cell cycle arrest in human solid tumor cell lines. Bioorganic & Medicinal Chemistry, 17(17), 6251–6256. https://doi.org/10.1016/j.bmc.2009.07.053 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||