Bioactive Compound Details
| BioID | bio954 |
|---|---|
| Name | CASEARLUCIN C |
| ChEMBL ID | CHEMBL510700 |
| Molecular Formula | C31H44O9 |
| Molecular Weight | 560.68 |
| Molecular Weight (Monoisotopic) | 560.2985 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Casearlucin C |
| Smiles | C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@H](OC(=O)C(C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](OC(C)=O)C[C@@H]1C |
| Inchi | InChI=1S/C31H44O9/c1-10-17(3)12-13-30(9)19(5)14-26(36-20(6)32)31-24(28(37-21(7)33)40-29(31)38-22(8)34)15-23(16-25(30)31)39-27(35)18(4)11-2/h10,12,15,18-19,23,25-26,28-29H,1,11,13-14,16H2,2-9H3/b17-12+/t18?,19-,23+,25+,26+,28+,29-,30-,31-/m0/s1 |
| Inchi Key | MGXDVAJVXQUVIN-CBBQIVOJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 3.22 |
| Records Key | ['3, Casearlucin C'] |
| Records Name | ['rel-(2S,5R,6R,8S,9S,10R,18S,19R)-6,18,19-triacetoxy-18,19-epoxy-2-(2-Epsilon-methylbutanoyloxy)-cleroda-3,12,14-triene'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
