Bioactive Compound Details
| BioID | bio860 |
|---|---|
| Name | AURILIDE C |
| ChEMBL ID | CHEMBL354961 |
| Molecular Formula | C43H73N5O10 |
| Molecular Weight | 820.08 |
| Molecular Weight (Monoisotopic) | 819.5357 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Aurilide C |
| Smiles | CC/C=C(\C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@H]([C@H](C)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C |
| Inchi | InChI=1S/C43H73N5O10/c1-17-19-27(10)37-29(12)31(49)21-20-28(11)42(55)57-36(25(7)8)38(51)45-34(24(5)6)40(53)48(16)35(26(9)18-2)41(54)46(14)22-32(50)44-33(23(3)4)39(52)47(15)30(13)43(56)58-37/h19-20,23-26,29-31,33-37,49H,17-18,21-22H2,1-16H3,(H,44,50)(H,45,51)/b27-19+,28-20+/t26-,29+,30+,31+,33+,34+,35+,36-,37-/m1/s1 |
| Inchi Key | BCIDYWRVGQFMIS-NOZRKBPESA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.45 |
| Records Key | ['2'] |
| Records Name | ['Aurilide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
