Bioactive Compound Details
| BioID | bio1532 |
|---|---|
| Name | AGLAXIFLORIN C |
| ChEMBL ID | CHEMBL526883 |
| Molecular Formula | C38H44N2O10 |
| Molecular Weight | 688.77 |
| Molecular Weight (Monoisotopic) | 688.2996 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Aglaxiflorin C |
| Smiles | CC[C@@](C)(O)C(=O)N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]2(O)c3c(OC)cc(OC)cc3O[C@]1(c1ccc(OC)cc1)[C@H]2OC(C)=O |
| Inchi | InChI=1S/C38H44N2O10/c1-7-36(3,44)35(43)39-29-14-11-19-40(29)33(42)32-30(23-12-9-8-10-13-23)37(45)31-27(48-6)20-26(47-5)21-28(31)50-38(32,34(37)49-22(2)41)24-15-17-25(46-4)18-16-24/h8-10,12-13,15-18,20-21,29-30,32,34,44-45H,7,11,14,19H2,1-6H3,(H,39,43)/t29-,30+,32-,34-,36+,37+,38-/m0/s1 |
| Inchi Key | RYEBRWASMXDOFK-RQUBQOHMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.47 |
| Records Key | ['5'] |
| Records Name | ['Aglaxiflorin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
