Bioactive Compound Details
| BioID | bio733 |
|---|---|
| Name | SPIROLIDE C |
| ChEMBL ID | CHEMBL553717 |
| Molecular Formula | C43H63NO7 |
| Molecular Weight | 705.98 |
| Molecular Weight (Monoisotopic) | 705.4605 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | spirolide C |
| Smiles | C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C |
| Inchi | InChI=1S/C43H63NO7/c1-25-10-9-11-38-41(22-28(4)30(6)24-44-38)15-13-33(37-20-27(3)39(46)48-37)31(7)34(41)19-26(2)35(45)21-36-29(5)23-42(50-36)16-17-43(51-42)40(8,47)14-12-32(18-25)49-43/h19-20,28-30,32,34-37,45,47H,1,9-18,21-24H2,2-8H3/b26-19+/t28-,29+,30-,32-,34-,35-,36+,37-,40+,41+,42-,43+/m0/s1 |
| Inchi Key | BDNZANPABAQRBQ-JVWYYLOCSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.01 |
| Records Key | ['spirolide C'] |
| Records Name | ['spirolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
