Bioactive Compound Details
| BioID | bio1829 |
|---|---|
| Name | ISOGOSTERONE C |
| ChEMBL ID | CHEMBL474461 |
| Molecular Formula | C31H46O8 |
| Molecular Weight | 546.7 |
| Molecular Weight (Monoisotopic) | 546.3193 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Isogosterone C |
| Smiles | CC(=O)OC(CCC(C)C)[C@@H](C)[C@]1(O)CC[C@@]2(O1)[C@@H]1CCC3=CC(=O)C=C[C@]3(C)[C@H]1C[C@H](OC(C)=O)[C@]2(C)O |
| Inchi | InChI=1S/C31H46O8/c1-18(2)8-11-26(37-20(4)32)19(3)31(36)15-14-30(39-31)24-10-9-22-16-23(34)12-13-28(22,6)25(24)17-27(29(30,7)35)38-21(5)33/h12-13,16,18-19,24-27,35-36H,8-11,14-15,17H2,1-7H3/t19-,24-,25+,26?,27+,28+,29+,30-,31+/m1/s1 |
| Inchi Key | PVZHSMTYGAKBDL-PZKLDJMMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.62 |
| Records Key | ['3'] |
| Records Name | ['isogosterone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
