Características Generales
| NatID | 1241 |
| Nombre Común | NatID_1241 |
| Fórmula Molecular | C17H16O5 |
| Tipo Químico | Naphthopyrans |
| Peso Molecular | 300.100 g/mol |
| Otros nombres | 1832643-07-8 |
Representaciones
| Smiles | C[C@@]12CCC[C@]3(COC1=O)C1=C(C=C[C@@H]23)C(=O)C=C(O)C1=O |
| Inchi | InChI=1S/C17H16O5/c1-16-5-2-6-17(8-22-15(16)21)12(16)4-3-9-10(18)7-11(19)14(20)13(9)17/h3-4,7,12,19H,2,5-6,8H2,1H3/t12-,16-,17+/m0/s1 |
| Inchi Key | WRJNWHSAWSCBOK-AFAVFJNCSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 1.80 |
| TPSA | 80.67 |
| HBD | 1 |
| HBA | 5 |
| Enlaces Rotables | 0 |
| Anillos aromáticos | 0 |
| Átomos pesados | 22 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 5 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9528 | Salvia cuspidata subsp. gilliesii | No | Very High | Lozano, E. S., Spina, R. M., Tonn, C. E., Sosa, M. A., & Cifuente, D. A. (2015). An abietane diterpene from Salvia cuspidata and some new derivatives are active against Trypanosoma cruzi. Bioorganic & Medicinal Chemistry Letters, 25(23), 5481–5484. https://doi.org/10.1016/j.bmcl.2015.10.082 |
| 10365 | Salvia cuspidata | No | Low | Troncoso, M. E., Germanó, M. J., Arrieta, V. J., García Bustos, M. F., Cifuente, D., Cargnelutti, D. E., & Lozano, E. S. (2023). Antiparasitic Activity of Two Natural Terpenes from Salvia cuspidata against Leishmania amazonensis. Journal of Natural Products, 86(4), 797–803. https://doi.org/10.1021/acs.jnatprod.2c00976 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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