| BioID | bio1557 |
|---|
| Name | DIACARNOXIDE C |
|---|
| ChEMBL ID | CHEMBL218839 |
|---|
| Molecular Formula | C25H44O4 |
|---|
| Molecular Weight | 408.62 |
|---|
| Molecular Weight (Monoisotopic) | 408.324 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Diacarnoxide C |
|---|
| Smiles | COC(=O)[C@@H](C)[C@H]1CC[C@](C)(CCCC(C)CCC2=C(C)CCCC2(C)C)OO1 |
|---|
| Inchi | InChI=1S/C25H44O4/c1-18(12-13-21-19(2)11-9-15-24(21,4)5)10-8-16-25(6)17-14-22(28-29-25)20(3)23(26)27-7/h18,20,22H,8-17H2,1-7H3/t18?,20-,22+,25-/m0/s1 |
|---|
| Inchi Key | GJIDDUBOWGAKMM-LCSRXMRKSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 2.57 |
|---|
| Records Key | ['3, Diacarnoxide C'] |
|---|
| Records Name | ['(2S*)-methyl-2-((3R*,6S*)-6-methyl-6-(4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexyl)-1,2-dioxan-3-yl)propanoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
