Características Generales
| NatID | 1383 |
| Nombre Común | NatID_1383 |
| Fórmula Molecular | C20H24O7 |
| Tipo Químico | Prenol lipids > Terpene lactones |
| Peso Molecular | 376.152 g/mol |
| Otros nombres |
Representaciones
| Smiles | CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1OC(=O)[C@@]23CCC[C@](C)(CO)C3[C@H]1O |
| Inchi | InChI=1S/C20H24O7/c1-8(2)9-12(22)10-11(14(24)13(9)23)20-6-4-5-19(3,7-21)17(20)15(25)16(10)27-18(20)26/h8,15-17,21,23,25H,4-7H2,1-3H3/t15-,16+,17?,19+,20-/m0/s1 |
| Inchi Key | BROROJVFCBHECH-TVHPQVIFSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 0.99 |
| TPSA | 121.13 |
| HBD | 3 |
| HBA | 7 |
| Enlaces Rotables | 2 |
| Anillos aromáticos | 0 |
| Átomos pesados | 27 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 7 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9868 | Salvia cuspidata subsp. gilliesii | No | Unknown | Nieto, M., Garcı́a, E. E., Giordano, O. S., & Tonn, C. E. (2000). Icetexane and abietane diterpenoids from Salvia gilliessi. Phytochemistry, 53(8), 911–915. https://doi.org/10.1016/s0031-9422(99)00480-x |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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