Bioactive Compound Details
| BioID | bio1573 |
|---|---|
| Name | ARDISIANOSIDE C |
| ChEMBL ID | CHEMBL268687 |
| Molecular Formula | C47H78O16 |
| Molecular Weight | 899.12 |
| Molecular Weight (Monoisotopic) | 898.529 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | ardisianoside C |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CO[C@@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]78OC[C@@]9(CCC(C)(C)C[C@H]97)[C@H](O)C[C@@]8(C)[C@]6(C)CC[C@H]5C4(C)C)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C47H78O16/c1-22-30(50)33(53)36(56)39(59-22)63-37-34(54)31(51)23(19-48)60-40(37)61-24-20-57-38(35(55)32(24)52)62-29-11-12-43(6)25(42(29,4)5)9-13-44(7)26(43)10-14-47-27-17-41(2,3)15-16-46(27,21-58-47)28(49)18-45(44,47)8/h22-40,48-56H,9-21H2,1-8H3/t22-,23+,24-,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44+,45-,46+,47-/m0/s1 |
| Inchi Key | HERCSTJVHFDRGB-JTWYRERBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 2.73 |
| Records Key | ['4, ardisianoside C', '4'] |
| Records Name | ['3-beta-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-alpha-L-arabinopyranosyl-13-beta,28-epoxy-16-alpha-hydroxyoleanane', '3-beta-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-alpha-L-arabinopyranosyl-13-beta,28-epoxy-16-alpha-hydroxyoleanane'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
