Bioactive Compound Details
| BioID | bio384 |
|---|---|
| Name | TRICHINENLIDE C |
| ChEMBL ID | CHEMBL2431778 |
| Molecular Formula | C31H36O11 |
| Molecular Weight | 584.62 |
| Molecular Weight (Monoisotopic) | 584.2258 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | C/C=C/C(=O)O[C@H]1C(C)(C)[C@H](C(O)C(=O)OC)[C@]2(C)C(=O)[C@@]1(O)[C@H]1O[C@@]13C2=CC[C@]1(C)[C@H]3CC(=O)O[C@H]1c1ccoc1 |
| Inchi | InChI=1S/C31H36O11/c1-7-8-18(32)41-25-27(2,3)21(20(34)23(35)38-6)29(5)16-9-11-28(4)17(31(16)26(42-31)30(25,37)24(29)36)13-19(33)40-22(28)15-10-12-39-14-15/h7-10,12,14,17,20-22,25-26,34,37H,11,13H2,1-6H3/b8-7+/t17-,20?,21+,22+,25+,26-,28-,29-,30+,31-/m1/s1 |
| Inchi Key | UCHPUEMCYMPXDX-UYQGBQFOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.93 |
| Records Key | ['3'] |
| Records Name | ['Trichinenlide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
