Bioactive Compound Details
| BioID | bio1509 |
|---|---|
| Name | CIPATRIJUGIN C |
| ChEMBL ID | CHEMBL252939 |
| Molecular Formula | C31H38O11 |
| Molecular Weight | 586.63 |
| Molecular Weight (Monoisotopic) | 586.2414 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Cipatrijugin C |
| Smiles | C=C1[C@]2(OC(C)=O)C[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@]13O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@H](CC(=O)OC)[C@@]1(C)C2=O |
| Inchi | InChI=1S/C31H38O11/c1-16-30(41-18(3)33)15-28(6)25(19-9-10-38-14-19)40-24(35)13-31(16,28)42-22-12-21(39-17(2)32)27(4,5)20(11-23(34)37-8)29(22,7)26(30)36/h9-10,14,20-22,25H,1,11-13,15H2,2-8H3/t20-,21+,22-,25-,28-,29+,30+,31-/m0/s1 |
| Inchi Key | VBUVTRXWAVCMCB-YAVIGIRXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.85 |
| Records Key | ['3'] |
| Records Name | ['cipatrijugin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
