Bioactive Compound Details
| BioID | bio1163 |
|---|---|
| Name | MONANCHOCIDIN C |
| ChEMBL ID | CHEMBL1822163 |
| Molecular Formula | C48H81F3N6O10 |
| Molecular Weight | 959.2 |
| Molecular Weight (Monoisotopic) | 845.611 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Monanchocidin C |
| Smiles | CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=[N+]34)N2)O1.O=C([O-])C(F)(F)F |
| Inchi | InChI=1S/C46H80N6O8.C2HF3O2/c1-3-36-22-16-17-26-44(59-36)33-35-24-25-37-39(45(27-19-21-34(2)58-45)50-43(49-44)52(35)37)41(54)57-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-38-40(53)51(31-20-29-47)42(55)46(56,60-38)28-30-48;3-2(4,5)1(6)7/h16,22,34-39,42,55-56H,3-15,17-21,23-33,47-48H2,1-2H3,(H,49,50);(H,6,7)/t34-,35+,36+,37-,38-,39-,42-,44+,45-,46+;/m0./s1 |
| Inchi Key | COZDWYBYRYTRHA-ATHQDEDUSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.1 |
| Records Key | ['3'] |
| Records Name | ['Monanchocidin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
