| BioID | bio884 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1683259 |
|---|
| Molecular Formula | C31H44O4 |
|---|
| Molecular Weight | 480.69 |
|---|
| Molecular Weight (Monoisotopic) | 480.324 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | 3,3,5-Triisopentyldesmosdumotin C |
|---|
| Smiles | COC1=C(CCC(C)C)C(=O)/C(=C(O)/C=C/c2ccccc2)C(=O)C1(CCC(C)C)CCC(C)C |
|---|
| Inchi | InChI=1S/C31H44O4/c1-21(2)13-15-25-28(33)27(26(32)16-14-24-11-9-8-10-12-24)29(34)31(30(25)35-7,19-17-22(3)4)20-18-23(5)6/h8-12,14,16,21-23,32H,13,15,17-20H2,1-7H3/b16-14+,27-26+ |
|---|
| Inchi Key | SHZMGADOAUPOSQ-NLLWYSLESA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | 1.07 |
|---|
| Records Key | ['23'] |
|---|
| Records Name | ['3,3,5-Triisopentyldesmosdumotin C'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
