Bioactive Compound Details
| BioID | bio1072 |
|---|---|
| Name | CASEARGREWIIN C |
| ChEMBL ID | CHEMBL509821 |
| Molecular Formula | C31H44O10 |
| Molecular Weight | 576.68 |
| Molecular Weight (Monoisotopic) | 576.2934 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Caseargrewiin C |
| Smiles | C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(C)=O)[C@H](O)[C@@]23C(=C[C@H](OC(=O)CC(C)C)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O |
| Inchi | InChI=1S/C31H44O10/c1-10-17(4)11-12-30(9)18(5)26(37-19(6)32)27(36)31-23(28(38-20(7)33)41-29(31)39-21(8)34)14-22(15-24(30)31)40-25(35)13-16(2)3/h10-11,14,16,18,22,24,26-29,36H,1,12-13,15H2,2-9H3/b17-11-/t18-,22+,24+,26-,27+,28+,29-,30-,31-/m1/s1 |
| Inchi Key | FKSLEDQKNYSZPO-BQLSBOTOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.2 |
| Records Key | ['3, Caseargrewiin C'] |
| Records Name | ['rel-(2R,5S,6R,7R,8S,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-(3-methylbutanoyloxy)-6-hydroxy-7-acetoxycleroda-3,12(Z),14-triene'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
