Bioactive Compound Details
| BioID | bio450 |
|---|---|
| Name | KLYSIMPLEXIN C |
| ChEMBL ID | CHEMBL1928368 |
| Molecular Formula | C26H42O7 |
| Molecular Weight | 466.62 |
| Molecular Weight (Monoisotopic) | 466.2931 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Klysimplexin C |
| Smiles | C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)[C@H](O)C[C@@](C)(OC(C)=O)[C@@H]32)[C@](C)(OC(=O)CCC)CC[C@@H]1O |
| Inchi | InChI=1S/C26H42O7/c1-8-9-20(30)33-25(6)11-10-17(28)15(4)12-19-23-22(24(25)31-19)21(14(2)3)18(29)13-26(23,7)32-16(5)27/h14,17-19,21-24,28-29H,4,8-13H2,1-3,5-7H3/t17-,18+,19+,21-,22+,23+,24+,25+,26+/m0/s1 |
| Inchi Key | WMCSKYPKBWCVNE-XWJYJYPBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 3.19 |
| Records Key | ['2'] |
| Records Name | ['Klysimplexin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
