Bioactive Compound Details
| BioID | bio1504 |
|---|---|
| Name | MALLEASTRONE C |
| ChEMBL ID | CHEMBL255712 |
| Molecular Formula | C32H40O11 |
| Molecular Weight | 600.66 |
| Molecular Weight (Monoisotopic) | 600.2571 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Malleastrone C |
| Smiles | CC(=O)O[C@]12OC[C@@]3(C)C(=O)C[C@@H](O)[C@@](C)([C@@H]13)[C@H]1[C@@H](O)[C@H](OC(=O)C(C)C)[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@]1(C)C2=O |
| Inchi | InChI=1S/C32H40O11/c1-14(2)24(37)41-23-21(36)22-28(5)19(35)11-18(34)27(4)13-40-31(25(27)28,42-15(3)33)26(38)30(22,7)32-20(43-32)10-17(29(23,32)6)16-8-9-39-12-16/h8-9,12,14,17,19-23,25,35-36H,10-11,13H2,1-7H3/t17-,19+,20+,21+,22+,23-,25-,27-,28+,29+,30-,31+,32+/m0/s1 |
| Inchi Key | WJTGTEMWMHUCEK-KDRLOBMWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.26 |
| Records Key | ['3'] |
| Records Name | ['malleastrone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
