Bioactive Compound Details
| BioID | bio1362 |
|---|---|
| Name | SAPINSIGNOID C |
| ChEMBL ID | CHEMBL2042142 |
| Molecular Formula | C36H50O9 |
| Molecular Weight | 626.79 |
| Molecular Weight (Monoisotopic) | 626.3455 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Sapinsignoid C |
| Smiles | CCCCCCCCC(=O)/C=C/C=C/C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(C)=O |
| Inchi | InChI=1S/C36H50O9/c1-6-7-8-9-10-11-14-27(39)15-12-13-16-30(40)45-35-19-24(3)36(43)28(31(35)33(35,5)22-44-25(4)38)18-26(21-37)20-34(42)29(36)17-23(2)32(34)41/h12-13,15-18,24,28-29,31,37,42-43H,6-11,14,19-22H2,1-5H3/b15-12+,16-13+/t24-,28+,29-,31-,33-,34-,35+,36-/m1/s1 |
| Inchi Key | GYANTJGKRSMADS-UVXJJLEESA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.68 |
| Records Key | ['3'] |
| Records Name | ['Sapinsignoid C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
