Bioactive Compound Details
| BioID | bio1162 |
|---|---|
| Name | HOMOTEMSIROLIMUS C |
| ChEMBL ID | CHEMBL1774942 |
| Molecular Formula | C57H89NO16 |
| Molecular Weight | 1044.33 |
| Molecular Weight (Monoisotopic) | 1043.6181 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Homotemsirolimus C |
| Smiles | CC[C@@H]1/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OC)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC1=O |
| Inchi | InChI=1S/C57H89NO16/c1-12-41-28-38(6)50(63)51(71-11)49(62)37(5)26-34(2)18-14-13-15-19-35(3)46(69-9)30-42-23-21-39(7)57(68,74-42)52(64)53(65)58-25-17-16-20-43(58)54(66)72-47(31-44(41)61)36(4)27-40-22-24-45(48(29-40)70-10)73-55(67)56(8,32-59)33-60/h13-15,18-19,28,34,36-37,39-43,45-48,50-51,59-60,63,68H,12,16-17,20-27,29-33H2,1-11H3/b15-13+,18-14+,35-19+,38-28+/t34-,36-,37-,39-,40+,41-,42+,43+,45-,46+,47+,48-,50-,51+,57-/m1/s1 |
| Inchi Key | OZMZZJHYZQVAQQ-IFICCMBESA-N |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | None |
| Records Key | ['2c'] |
| Records Name | ['homotemsirolimus C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
