Bioactive Compound Details
| BioID | bio731 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL509209 |
| Molecular Formula | C44H73NO11 |
| Molecular Weight | 792.06 |
| Molecular Weight (Monoisotopic) | 791.5184 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | 19-O-Demethylscytophycin C |
| Smiles | CO[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C=C/C(C)=C/C[C@H](O)C[C@@H]2C=CC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](OC)C[C@@H](O)[C@@H]1C)O2 |
| Inchi | InChI=1S/C44H73NO11/c1-27-15-18-34(47)23-35-13-12-14-36(55-35)24-39(52-9)32(6)40(53-10)25-38(49)31(5)44(56-41(50)20-16-27)33(7)42(51)28(2)17-19-37(48)30(4)43(54-11)29(3)21-22-45(8)26-46/h12-13,15-16,20-22,26,28-36,38-40,42-44,47,49,51H,14,17-19,23-25H2,1-11H3/b20-16+,22-21+,27-15+/t28-,29+,30-,31-,32+,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-/m0/s1 |
| Inchi Key | MVOGRRKBWLHPTF-FUNNEDHOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.93 |
| Records Key | ['3'] |
| Records Name | ['19-O-demethylscytophycin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
