Bioactive Compound Details
| BioID | bio1634 |
|---|---|
| Name | BRIALALEPOLIDE C |
| ChEMBL ID | CHEMBL1774945 |
| Molecular Formula | C32H46O11 |
| Molecular Weight | 606.71 |
| Molecular Weight (Monoisotopic) | 606.304 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Brialalepolide C |
| Smiles | CCCCCCCC(=O)O[C@@H]1C[C@H](O)[C@@]2(C)C=C[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]2[C@H](OC(C)=O)[C@]23O[C@@]2(C)C(=O)O[C@H]3/C=C\1C |
| Inchi | InChI=1S/C32H46O11/c1-8-9-10-11-12-13-25(36)41-21-17-22(35)29(5)15-14-23(39-19(3)33)30(6,38)26(29)27(40-20(4)34)32-24(16-18(21)2)42-28(37)31(32,7)43-32/h14-16,21-24,26-27,35,38H,8-13,17H2,1-7H3/b18-16-/t21-,22+,23-,24+,26-,27+,29-,30-,31+,32+/m1/s1 |
| Inchi Key | CEVYVRCWJDJLEW-LXIKAAAESA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.98 |
| Records Key | ['3'] |
| Records Name | ['brialalepolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
