Bioactive Compound Details
| BioID | bio1375 |
|---|---|
| Name | MYCALOLIDE C |
| ChEMBL ID | CHEMBL503976 |
| Molecular Formula | C51H72N4O16 |
| Molecular Weight | 997.15 |
| Molecular Weight (Monoisotopic) | 996.4943 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Mycalolide C |
| Smiles | CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](OC)[C@@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CC[C@@H](OC(=O)[C@@H](C)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)[C@@H]1C |
| Inchi | InChI=1S/C51H72N4O16/c1-29(19-20-42(71-51(61)34(6)62-9)33(5)47(69-35(7)57)30(2)21-22-55(8)28-56)43(64-11)24-44-32(4)41(63-10)17-14-18-45-52-38(26-66-45)49-54-39(27-68-49)50-53-37(25-67-50)48(65-12)31(3)40(59)16-13-15-36(58)23-46(60)70-44/h13-14,16,18,21-22,25-34,36,41-44,47-48,58H,15,17,19-20,23-24H2,1-12H3/b16-13+,18-14+,22-21+/t29-,30+,31-,32+,33-,34+,36-,41-,42+,43-,44-,47+,48-/m0/s1 |
| Inchi Key | IQWXGENIKCGPFN-LDOHDOHLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.18 |
| Records Key | ['3'] |
| Records Name | ['mycalolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
