Características Generales
| NatID | 1065 |
| Nombre Común | NatID_1065 |
| Fórmula Molecular | C37H48O8 |
| Tipo Químico | Prenol lipids > Sesquiterpenoids |
| Peso Molecular | 620.335 g/mol |
| Otros nombres | 1381793-69-6 |
Representaciones
| Smiles | CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c3c2OC(C)(C)C=C3)C1=O |
| Inchi | InChI=1S/C37H48O8/c1-9-12-26(38)28-30(40)23-17-18-36(6,7)45-33(23)24(31(28)41)20-25-32(42)29(27(39)13-10-2)35(44)37(8,34(25)43)19-16-22(5)15-11-14-21(3)4/h14,16-18,40-41,43-44H,9-13,15,19-20H2,1-8H3/b22-16+/t37-/m1/s1 |
| Inchi Key | RHDYRIDMJQAJCH-ZPPLYPLCSA-N |
| Estructura 3D |
Propiedades calculadas
| clogP | 8.47 |
| TPSA | 141.36 |
| HBD | 4 |
| HBA | 8 |
| Enlaces Rotables | 13 |
| Anillos aromáticos | 1 |
| Átomos pesados | 45 |
| Carbociclos Aromáticos | 1 |
| Heterociclos Aromáticos | 0 |
| Número de NO | 8 |
Experimentos
| EID | Fuente | Semisintético? | Confidence level | Referencias |
|---|---|---|---|---|
| 9197 | Elaphoglossum crassipes | No | Very High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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