Bioactive Compound Details
| BioID | bio1762 |
|---|---|
| Name | CINNAFRAGRIN C |
| ChEMBL ID | CHEMBL218539 |
| Molecular Formula | C51H70O14 |
| Molecular Weight | 907.11 |
| Molecular Weight (Monoisotopic) | 906.4766 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Cinnafragrin C |
| Smiles | CC(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H]3O[C@H](C4=C[C@@H](OC(C)=O)[C@H]5C(C)(C)CCC[C@]5(C)[C@@]4(O)C=O)O[C@@]34C2=C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]24C)C2=C(C(=O)OC2)[C@@]2(C)CCCC(C)(C)[C@H]12 |
| Inchi | InChI=1S/C51H70O14/c1-26(53)59-32-22-30(50(57,25-52)48(11)20-14-17-44(4,5)37(32)48)42-64-43-51(65-42)31(23-33(60-27(2)54)38-45(6,7)18-15-21-49(38,51)12)41(63-43)62-35-29-24-58-40(56)34(29)47(10)19-13-16-46(8,9)39(47)36(35)61-28(3)55/h22-23,25,32-33,35-39,41-43,57H,13-21,24H2,1-12H3/t32-,33-,35+,36-,37+,38+,39+,41+,42+,43-,47-,48+,49+,50-,51+/m1/s1 |
| Inchi Key | YTOQPRPHVXEGPA-NVRFQOFVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.1 |
| Records Key | ['13'] |
| Records Name | ['cinnafragrin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
