Bioactive Compound Details
| BioID | bio1521 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2087540 |
| Molecular Formula | C32H52O7 |
| Molecular Weight | 548.76 |
| Molecular Weight (Monoisotopic) | 548.3713 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Makisterone C 20,22-Acetonide |
| Smiles | CC[C@H](C[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O |
| Inchi | InChI=1S/C32H52O7/c1-9-18(27(2,3)36)14-26-31(8,39-28(4,5)38-26)25-11-13-32(37)20-15-22(33)21-16-23(34)24(35)17-29(21,6)19(20)10-12-30(25,32)7/h15,18-19,21,23-26,34-37H,9-14,16-17H2,1-8H3/t18-,19+,21+,23-,24+,25+,26-,29-,30-,31-,32-/m1/s1 |
| Inchi Key | BYODBFXLZYKGPR-RINJXUFZSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.22 |
| Records Key | ['50'] |
| Records Name | ['Makisterone C 20,22-acetonide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
