Bioactive Compound Details
| BioID | bio1611 |
|---|---|
| Name | BRUCEINE C |
| ChEMBL ID | CHEMBL455759 |
| Molecular Formula | C28H36O12 |
| Molecular Weight | 564.58 |
| Molecular Weight (Monoisotopic) | 564.2207 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Bruceine C |
| Smiles | COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\C)C(C)(C)O)[C@@H]24 |
| Inchi | InChI=1S/C28H36O12/c1-11(25(3,4)36)7-16(30)40-19-21-27-10-38-28(21,24(35)37-6)22(33)18(32)20(27)26(5)9-14(29)17(31)12(2)13(26)8-15(27)39-23(19)34/h7,13,15,18-22,31-33,36H,8-10H2,1-6H3/b11-7+/t13-,15+,18+,19+,20+,21+,22-,26-,27+,28+/m0/s1 |
| Inchi Key | KCVFVYXSNLKEHU-MBKFLBLHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.56 |
| Records Key | ['21', '5', '6'] |
| Records Name | ['Bruceine C', 'Bruceine C', 'bruceine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
