Bioactive Compound Details
| BioID | bio104 |
|---|---|
| Name | KOKOSANOLIDE C |
| ChEMBL ID | CHEMBL2272100 |
| Molecular Formula | C27H34O8 |
| Molecular Weight | 486.56 |
| Molecular Weight (Monoisotopic) | 486.2254 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | COC(=O)[C@@H]1O[C@]23O[C@H]4CC[C@]5(C)C(=CC(=O)O[C@H]5c5ccoc5)[C@H]4C[C@]2(O)CC(C)(C)[C@H]1[C@@H]3C |
| Inchi | InChI=1S/C27H34O8/c1-14-20-21(23(29)31-5)35-27(14)26(30,13-24(20,2)3)11-16-17-10-19(28)33-22(15-7-9-32-12-15)25(17,4)8-6-18(16)34-27/h7,9-10,12,14,16,18,20-22,30H,6,8,11,13H2,1-5H3/t14-,16+,18-,20-,21+,22-,25+,26-,27-/m0/s1 |
| Inchi Key | KFFUOLHNMXSTRV-LZFCHUOXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.19 |
| Records Key | ['2'] |
| Records Name | ['kokosanolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
