Bioactive Compound Details
| BioID | bio1033 |
|---|---|
| Name | CALYCULIN |
| ChEMBL ID | CHEMBL509059 |
| Molecular Formula | C51H83N4O15P |
| Molecular Weight | 1023.21 |
| Molecular Weight (Monoisotopic) | 1022.5593 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Calyculin C |
| Smiles | COC[C@@H]([C@H](O)[C@H](O)C(=O)N[C@H](C)C[C@H](C)c1nc(/C=C/C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\C#N)OC)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C |
| Inchi | InChI=1S/C51H83N4O15P/c1-29(21-22-52)17-15-18-30(2)31(3)23-32(4)43(58)36(8)39(56)25-42(66-14)46-47(70-71(62,63)64)50(9,10)51(69-46)26-40(57)35(7)41(68-51)20-16-19-37-27-67-49(54-37)33(5)24-34(6)53-48(61)45(60)44(59)38(28-65-13)55(11)12/h15-19,21,23,27,32-36,38-47,56-60H,20,24-26,28H2,1-14H3,(H,53,61)(H2,62,63,64)/b17-15+,19-16+,29-21-,30-18+,31-23+/t32-,33+,34-,35+,36+,38+,39+,40-,41+,42+,43-,44+,45+,46-,47+,51-/m1/s1 |
| Inchi Key | MDHVPFKPZGGNLB-KWKPKXEISA-N |
| Molecular Species | None |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | None |
| Records Key | ['Calyculin C', 'calyculin C', '2'] |
| Records Name | ['Calyculin C', 'calyculin C', 'calyculin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
