Bioactive Compound Details
| BioID | bio1473 |
|---|---|
| Name | AURANTOSIDE C |
| ChEMBL ID | CHEMBL471538 |
| Molecular Formula | C37H46Cl2N2O15 |
| Molecular Weight | 829.68 |
| Molecular Weight (Monoisotopic) | 828.2275 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Aurantoside C |
| Smiles | C/C(Cl)=C/C=C/C(Cl)=C/C=C/C=C/C=C/C=C/C(O)=C1\C(=O)[C@H](CC(N)=O)N([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@@H]3O)[C@@H]2O)C1=O |
| Inchi | InChI=1S/C37H46Cl2N2O15/c1-18(38)11-10-13-20(39)12-8-6-4-3-5-7-9-14-22(43)26-28(47)21(15-25(40)45)41(34(26)51)35-33(29(48)23(44)17-52-35)56-37-31(50)32(24(16-42)54-37)55-36-30(49)27(46)19(2)53-36/h3-14,19,21,23-24,27,29-33,35-37,42-44,46,48-50H,15-17H2,1-2H3,(H2,40,45)/b4-3+,7-5+,8-6+,13-10+,14-9+,18-11-,20-12-,26-22-/t19-,21+,23-,24-,27-,29+,30+,31+,32-,33-,35-,36+,37+/m1/s1 |
| Inchi Key | DDBJBGSDUISYNN-JHCQUCJBSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.65 |
| Records Key | ['3'] |
| Records Name | ['Aurantoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
