Bioactive Compound Details
| BioID | bio1596 |
|---|---|
| Name | DYSOXYLUMOLIDE C |
| ChEMBL ID | CHEMBL2269402 |
| Molecular Formula | C36H48O13 |
| Molecular Weight | 688.77 |
| Molecular Weight (Monoisotopic) | 688.3095 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | CC(C)C(O)C(=O)OC(C(=O)O[C@@H]1[C@H](O)[C@@H]2[C@](C)(/C=C\C(=O)OC[C@@]2(C)O)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C)C(C)C |
| Inchi | InChI=1S/C36H48O13/c1-17(2)22(38)29(40)46-24(18(3)4)30(41)48-27-23(39)25-32(5,12-10-21(37)45-16-34(25,7)43)20-9-13-33(6)26(19-11-14-44-15-19)47-31(42)28-36(33,49-28)35(20,27)8/h10-12,14-15,17-18,20,22-28,38-39,43H,9,13,16H2,1-8H3/b12-10-/t20-,22?,23-,24?,25-,26+,27-,28-,32-,33+,34-,35+,36-/m1/s1 |
| Inchi Key | RCYZADKTJDQLRC-DPEZKNQOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.73 |
| Records Key | ['7'] |
| Records Name | ['Dysoxylumolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
