Bioactive Compound Details
| BioID | bio1003 |
|---|---|
| Name | MICROPEPTIN C |
| ChEMBL ID | CHEMBL540722 |
| Molecular Formula | C53H69N7O14 |
| Molecular Weight | 1028.17 |
| Molecular Weight (Monoisotopic) | 1027.4902 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Micropeptin C |
| Smiles | CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C |
| Inchi | InChI=1S/C53H69N7O14/c1-6-7-9-14-42(63)54-37(24-26-44(65)66)47(67)58-46-31(4)74-53(73)45(30(2)3)57-49(69)40(28-34-17-21-36(62)22-18-34)59(5)52(72)41(29-32-12-10-8-11-13-32)60-43(64)25-23-38(51(60)71)55-48(68)39(56-50(46)70)27-33-15-19-35(61)20-16-33/h8,10-13,15-22,30-31,37-41,43,45-46,61-62,64H,6-7,9,14,23-29H2,1-5H3,(H,54,63)(H,55,68)(H,56,70)(H,57,69)(H,58,67)(H,65,66)/t31-,37+,38+,39+,40+,41+,43-,45+,46+/m1/s1 |
| Inchi Key | IXBOOEYQWFLNRB-XZZJZNPNSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | None |
| Records Key | ['1'] |
| Records Name | ['Micropeptin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
