Bioactive Compound Details
| BioID | bio67 |
|---|---|
| Name | BRUCEOSIDE C |
| ChEMBL ID | CHEMBL506633 |
| Molecular Formula | C32H42O16 |
| Molecular Weight | 682.67 |
| Molecular Weight (Monoisotopic) | 682.2473 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Bruceoside C|Bruceoside-C |
| Smiles | COC(=O)[C@@]12OC[C@]34[C@H](OC(=O)C[C@@H]13)[C@H](OC(=O)C=C(C)C)[C@H]1C(C)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O |
| Inchi | InChI=1S/C32H42O16/c1-11(2)6-16(35)46-24-18-12(3)23(48-28-21(39)20(38)19(37)14(9-33)45-28)13(34)8-30(18,4)25-22(40)26(41)32(29(42)43-5)15-7-17(36)47-27(24)31(15,25)10-44-32/h6,14-15,18-22,24-28,33,37-41H,7-10H2,1-5H3/t14-,15-,18-,19-,20+,21-,22-,24-,25-,26+,27-,28+,30+,31+,32-/m1/s1 |
| Inchi Key | ASOOSZCOBHWYHJ-WPBRVXFDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 11.0 |
| Np Likeness Score | 3.08 |
| Records Key | ['15 (Bruceoside-C)', '5', '31'] |
| Records Name | ['Bruceoside-C', 'Bruceoside C', 'bruceoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
