Bioactive Compound Details
| BioID | bio863 |
|---|---|
| Name | PHYLLAEMBLICIN C |
| ChEMBL ID | CHEMBL557190 |
| Molecular Formula | C38H52O23 |
| Molecular Weight | 876.81 |
| Molecular Weight (Monoisotopic) | 876.2899 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Phyllaemblicin C |
| Smiles | C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)c1ccccc1)O[C@@H]1C[C@@H](C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@H](O)[C@]1(O)C2=O |
| Inchi | InChI=1S/C38H52O23/c1-14-12-54-37(9-18(14)55-31(49)15-5-3-2-4-6-15)36(51)38(52)21(42)7-16(8-22(38)61-37)32(50)60-35-30(27(47)25(45)20(11-40)57-35)59-34-29(26(46)24(44)19(10-39)56-34)58-33-28(48)23(43)17(41)13-53-33/h2-6,14,16-30,33-35,39-48,52H,7-13H2,1H3/t14-,16+,17-,18+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-,30-,33+,34+,35+,37+,38-/m1/s1 |
| Inchi Key | HCXKFKSCJVCPEU-DOYBARDJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.9 |
| Records Key | ['6'] |
| Records Name | ['Phyllaemblicin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
