Bioactive Compound Details
| BioID | bio1719 |
|---|---|
| Name | MILITARINONE C |
| ChEMBL ID | CHEMBL478579 |
| Molecular Formula | C26H33NO5 |
| Molecular Weight | 439.55 |
| Molecular Weight (Monoisotopic) | 439.2359 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Militarinone C |
| Smiles | CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(O)=C1\C(=O)NC(C(O)c2ccc(O)cc2)C1=O |
| Inchi | InChI=1S/C26H33NO5/c1-5-16(2)14-18(4)15-17(3)8-6-7-9-21(29)22-25(31)23(27-26(22)32)24(30)19-10-12-20(28)13-11-19/h6-13,15-16,18,23-24,28-30H,5,14H2,1-4H3,(H,27,32)/b8-6+,9-7+,17-15+,22-21+/t16-,18-,23?,24?/m1/s1 |
| Inchi Key | NKHVQSJVSMTQID-YNUTZCEOSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.99 |
| Records Key | ['2, Militarinone C'] |
| Records Name | ['5[hydroxy-(4-hydroxyphenyl)methyl]-3-(1-hydroxy-6,(syn-8,10)-trimethyldodeca-2,4,6-trienylidene)pyrrolidine-2,4-dione'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
