Bioactive Compound Details
| BioID | bio681 |
|---|---|
| Name | Bruceanol C |
| ChEMBL ID | CHEMBL2368536 |
| Molecular Formula | C30H38O13 |
| Molecular Weight | 606.62 |
| Molecular Weight (Monoisotopic) | 606.2312 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Bruceanol C |
| Smiles | COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)[C@H](O)C(=O)C=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(\C)C(C)(C)OC(C)=O)[C@@H]24 |
| Inchi | InChI=1S/C30H38O13/c1-12-8-16(32)23(35)28(6)15(12)10-17-29-11-40-30(26(38)39-7,24(36)19(34)21(28)29)22(29)20(25(37)41-17)42-18(33)9-13(2)27(4,5)43-14(3)31/h8-9,15,17,19-24,34-36H,10-11H2,1-7H3/b13-9+/t15-,17+,19+,20+,21+,22+,23+,24-,28-,29+,30+/m0/s1 |
| Inchi Key | SPFPWBZAPXGZPE-KRRRKNKYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.58 |
| Records Key | ['1'] |
| Records Name | ['Bruceanol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
