Bioactive Compound Details
| BioID | bio1804 |
|---|---|
| Name | EUPHORBIALOID C |
| ChEMBL ID | CHEMBL2030581 |
| Molecular Formula | C40H47NO12 |
| Molecular Weight | 733.81 |
| Molecular Weight (Monoisotopic) | 733.3098 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | euphorbialoid C |
| Smiles | CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)c3ccccc3)[C@@]3(COC(=O)c4cccnc4)[C@@H]([C@@H]4[C@H](C[C@H]3OC(C)=O)C4(C)C)[C@](C)(OC(C)=O)C(=O)[C@@]2(O)C[C@@H]1C |
| Inchi | InChI=1S/C40H47NO12/c1-8-28(44)51-31-21(2)18-40(48)30(31)33(52-35(46)24-13-10-9-11-14-24)39(20-49-34(45)25-15-12-16-41-19-25)27(50-22(3)42)17-26-29(37(26,5)6)32(39)38(7,36(40)47)53-23(4)43/h9-16,19,21,26-27,29-33,48H,8,17-18,20H2,1-7H3/t21-,26-,27+,29-,30+,31-,32-,33+,38-,39+,40+/m0/s1 |
| Inchi Key | XPWUYKWCNSPBHB-SBVZAISESA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.92 |
| Records Key | ['3, euphorbialoid C'] |
| Records Name | ['3beta-O-propionyl-5alpha-O-benzoyl-7beta,13beta-di-O-acetyl-17-O-nicotinoylpremyrsinol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
