Bioactive Compound Details
| BioID | bio873 |
|---|---|
| Name | DYSOXYLUMINS C |
| ChEMBL ID | CHEMBL2269399 |
| Molecular Formula | C42H56O18 |
| Molecular Weight | 848.89 |
| Molecular Weight (Monoisotopic) | 848.3467 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | C=C1[C@@H]([C@@]2(C)[C@@H](OC(C)=O)CC(=O)O[C@](C)(COC(C)=O)[C@@H]2CC(=O)OC)[C@@H](OC=O)[C@H](OC(=O)[C@H](O)C(C)C)[C@@]2(C)[C@@H](c3ccoc3)[C@@H](OC(=O)[C@H](O)C(C)C)[C@H]3O[C@]132 |
| Inchi | InChI=1S/C42H56O18/c1-19(2)31(48)37(50)57-34-30(24-12-13-53-16-24)41(10)35(58-38(51)32(49)20(3)4)33(55-18-43)29(21(5)42(41)36(34)60-42)40(9)25(14-27(46)52-11)39(8,17-54-22(6)44)59-28(47)15-26(40)56-23(7)45/h12-13,16,18-20,25-26,29-36,48-49H,5,14-15,17H2,1-4,6-11H3/t25-,26-,29+,30-,31+,32+,33+,34+,35-,36+,39+,40+,41+,42+/m0/s1 |
| Inchi Key | HHDTUVNIZIWMMM-LAQKPKIXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.2 |
| Records Key | ['Dysoxylumins C'] |
| Records Name | ['Dysoxylumins C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
