Bioactive Compound Details
| BioID | bio824 |
|---|---|
| Name | BACULIFERIN C |
| ChEMBL ID | CHEMBL1214280 |
| Molecular Formula | C40H27NO17S2 |
| Molecular Weight | 857.78 |
| Molecular Weight (Monoisotopic) | 857.072 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Baculiferin C |
| Smiles | O=C1C(c2ccc(O)c(OS(=O)(=O)O)c2)=c2c(c3c(n2CCc2ccc(O)cc2)=C(c2ccc(O)c(OS(=O)(=O)O)c2)C(=O)c2cc(O)c(O)cc2-3)-c2cc(O)c(O)cc21 |
| Inchi | InChI=1S/C40H27NO17S2/c42-20-5-1-17(2-6-20)9-10-41-37-33(18-3-7-25(43)31(11-18)57-59(51,52)53)39(49)23-15-29(47)27(45)13-21(23)35(37)36-22-14-28(46)30(48)16-24(22)40(50)34(38(36)41)19-4-8-26(44)32(12-19)58-60(54,55)56/h1-8,11-16,42-48H,9-10H2,(H,51,52,53)(H,54,55,56) |
| Inchi Key | TZEUKVIOCSOUAF-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 8.0 |
| Bioactivities | 11.0 |
| Np Likeness Score | 0.41 |
| Records Key | ['4'] |
| Records Name | ['baculiferin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
