Características Generales
| NatID | 1242 |
| Nombre Común | NatID_1242 |
| Fórmula Molecular | C20H20O5 |
| Tipo Químico | Naphthopyrans |
| Peso Molecular | 340.131 g/mol |
| Otros nombres |
Representaciones
| Smiles | C=CCOC1=CC(=O)C2=C(C1=O)[C@]13CCC[C@](C)(C(=O)OC1)[C@@H]3C=C2 |
| Inchi | InChI=1S/C20H20O5/c1-3-9-24-14-10-13(21)12-5-6-15-19(2)7-4-8-20(15,11-25-18(19)23)16(12)17(14)22/h3,5-6,10,15H,1,4,7-9,11H2,2H3/t15-,19-,20+/m0/s1 |
| Inchi Key | QVGIIFRXJSJHFU-RYGJVYDSSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.44 |
| TPSA | 69.67 |
| HBD | 0 |
| HBA | 5 |
| Enlaces Rotables | 3 |
| Anillos aromáticos | 0 |
| Átomos pesados | 25 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 5 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9529 | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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