Bioactive Compound Details
| BioID | bio179 |
|---|---|
| Name | BERKELEYONE C |
| ChEMBL ID | CHEMBL1911630 |
| Molecular Formula | C26H34O7 |
| Molecular Weight | 458.55 |
| Molecular Weight (Monoisotopic) | 458.2305 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Berkeleyone C |
| Smiles | C=C(C)C1=CC[C@@]2(C)[C@@H](C[C@]3(C)C(=C)[C@@]2(C(=O)OC)C(=O)[C@@](C)(O)C3=O)[C@]1(C)CCC(=O)O |
| Inchi | InChI=1S/C26H34O7/c1-14(2)16-9-12-24(6)17(22(16,4)11-10-18(27)28)13-23(5)15(3)26(24,21(31)33-8)20(30)25(7,32)19(23)29/h9,17,32H,1,3,10-13H2,2,4-8H3,(H,27,28)/t17-,22+,23+,24-,25-,26-/m0/s1 |
| Inchi Key | HBZLILHFZMWEGE-QFRJCEMRSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.64 |
| Records Key | ['7'] |
| Records Name | ['Berkeleyone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
