Características Generales
| NatID | 1358 |
| Nombre Común | NatID_1358 |
| Fórmula Molecular | C22H24O6 |
| Tipo Químico | Prenol lipids > Terpene lactones |
| Peso Molecular | 384.157 g/mol |
| Otros nombres |
Representaciones
| Smiles | CC(=O)OC1=C(C(C)C)C(=O)C2=C(C1=O)[C@]13CCC[C@](C)(C(=O)OC1)[C@@H]3C=C2 |
| Inchi | InChI=1S/C22H24O6/c1-11(2)15-17(24)13-6-7-14-21(4)8-5-9-22(14,10-27-20(21)26)16(13)18(25)19(15)28-12(3)23/h6-7,11,14H,5,8-10H2,1-4H3/t14-,21-,22+/m0/s1 |
| Inchi Key | WYKRBYPNACKJHB-JQOQJDEVSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 2.83 |
| TPSA | 86.74 |
| HBD | 0 |
| HBA | 6 |
| Enlaces Rotables | 2 |
| Anillos aromáticos | 0 |
| Átomos pesados | 28 |
| Carbociclos Aromáticos | 0 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 6 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9735 | Salvia cuspidata subsp. gilliesii | No | Very High | 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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