Bioactive Compound Details
| BioID | bio1118 |
|---|---|
| Name | ANCHINOPEPTOLIDE C |
| ChEMBL ID | CHEMBL505045 |
| Molecular Formula | C33H44N10O8 |
| Molecular Weight | 708.78 |
| Molecular Weight (Monoisotopic) | 708.3344 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Anchinopeptolide C |
| Smiles | C[C@H](NC(=O)[C@@]1(O)[C@H](CCNC(=N)N)[C@@](O)(CCCNC(=N)N)C(=O)N1CC(=O)N/C=C/c1ccc(O)cc1)C(=O)N/C=C/c1ccc(O)cc1 |
| Inchi | InChI=1S/C33H44N10O8/c1-20(27(47)39-17-12-22-5-9-24(45)10-6-22)42-28(48)33(51)25(13-18-41-31(36)37)32(50,14-2-15-40-30(34)35)29(49)43(33)19-26(46)38-16-11-21-3-7-23(44)8-4-21/h3-12,16-17,20,25,44-45,50-51H,2,13-15,18-19H2,1H3,(H,38,46)(H,39,47)(H,42,48)(H4,34,35,40)(H4,36,37,41)/b16-11+,17-12+/t20-,25+,32-,33-/m0/s1 |
| Inchi Key | HTEZSPDIMAAWRF-FWUIFEAPSA-N |
| Molecular Species | BASE |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.68 |
| Records Key | ['3'] |
| Records Name | ['anchinopeptolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
