Bioactive Compound Details
| BioID | bio1756 |
|---|---|
| Name | TAXCHININ C |
| ChEMBL ID | CHEMBL508109 |
| Molecular Formula | C47H50O14 |
| Molecular Weight | 838.9 |
| Molecular Weight (Monoisotopic) | 838.3201 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Taxchinin C |
| Smiles | CC(=O)O[C@H]1C[C@]2(C(C)(C)O)C(=C1C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@]1(C)[C@@H](OC(C)=O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]1[C@@H]2OC(=O)c1ccccc1 |
| Inchi | InChI=1S/C47H50O14/c1-26-33(56-27(2)48)24-46(44(5,6)54)36(26)37(58-41(51)30-17-11-8-12-18-30)39(59-42(52)31-19-13-9-14-20-31)45(7)34(57-28(3)49)23-35-47(25-55-35,61-29(4)50)38(45)40(46)60-43(53)32-21-15-10-16-22-32/h8-22,33-35,37-40,54H,23-25H2,1-7H3/t33-,34-,35+,37+,38-,39-,40-,45+,46-,47-/m0/s1 |
| Inchi Key | SKICGKCRGMFJSZ-JUKOMDMISA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.11 |
| Records Key | ['5'] |
| Records Name | ['Taxchinin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
