Bioactive Compound Details
| BioID | bio1766 |
|---|---|
| Name | PARATUNAMIDE C |
| ChEMBL ID | CHEMBL448248 |
| Molecular Formula | C26H30N2O11 |
| Molecular Weight | 546.53 |
| Molecular Weight (Monoisotopic) | 546.185 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Paratunamide C |
| Smiles | C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N(CC[C@]3(O)C(=O)Nc4ccccc43)C(=O)C[C@H]21 |
| Inchi | InChI=1S/C26H30N2O11/c1-2-12-13-9-18(30)28(8-7-26(36)15-5-3-4-6-16(15)27-25(26)35)22(34)14(13)11-37-23(12)39-24-21(33)20(32)19(31)17(10-29)38-24/h2-6,11-13,17,19-21,23-24,29,31-33,36H,1,7-10H2,(H,27,35)/t12-,13+,17-,19-,20+,21-,23+,24+,26-/m1/s1 |
| Inchi Key | MWJJDCGSBJVCSS-WFCCQOBFSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.95 |
| Records Key | ['3'] |
| Records Name | ['paratunamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
