Bioactive Compound Details
| BioID | bio892 |
|---|---|
| Name | SKIMMIAREPIN C |
| ChEMBL ID | CHEMBL1910872 |
| Molecular Formula | C35H54O6 |
| Molecular Weight | 570.81 |
| Molecular Weight (Monoisotopic) | 570.392 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Skimmiarepin C |
| Smiles | CC(C)=CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]45C[C@]4(CC[C@@H]5[C@@H]4C[C@H]([C@@H]5OC5(C)C)OC4O)[C@]3(C)[C@H](O)C[C@H]2C1(C)C |
| Inchi | InChI=1S/C35H54O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h15,20-26,28-29,36,38H,9-14,16-18H2,1-8H3/t20-,21+,22+,23+,24-,25+,26+,28-,29?,32+,33-,34+,35+/m0/s1 |
| Inchi Key | ITVZPGUBVVWDLH-DKQGTCRASA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 22.0 |
| Np Likeness Score | 3.41 |
| Records Key | ['2'] |
| Records Name | ['Skimmiarepin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
