Bioactive Compound Details
| BioID | bio628 |
|---|---|
| Name | BRUCEANIC ACID C |
| ChEMBL ID | CHEMBL500873 |
| Molecular Formula | C30H40O13 |
| Molecular Weight | 608.64 |
| Molecular Weight (Monoisotopic) | 608.2469 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Bruceanic Acid C |
| Smiles | COC(=O)[C@@]12OC[C@]34[C@H](CC(=O)[C@H](OC(=O)/C=C(\C)C(C)(C)OC(C)=O)[C@@H]13)C[C@@H](C(C)=O)[C@](C)(CC(=O)O)[C@H]4[C@@H](O)[C@@H]2O |
| Inchi | InChI=1S/C30H40O13/c1-13(27(4,5)43-15(3)32)8-20(36)42-22-18(33)10-16-9-17(14(2)31)28(6,11-19(34)35)23-21(37)25(38)30(26(39)40-7)24(22)29(16,23)12-41-30/h8,16-17,21-25,37-38H,9-12H2,1-7H3,(H,34,35)/b13-8+/t16-,17-,21+,22-,23+,24+,25-,28-,29+,30+/m0/s1 |
| Inchi Key | VADAREHOGJXCBD-MLOGEELUSA-N |
| Molecular Species | ACID |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.91 |
| Records Key | ['4'] |
| Records Name | ['Bruceanic Acid C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
