Bioactive Compound Details
| BioID | bio958 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL437333 |
| Molecular Formula | C34H46O8 |
| Molecular Weight | 582.73 |
| Molecular Weight (Monoisotopic) | 582.3193 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Cinnamacrin-C |
| Smiles | CC(=O)O[C@@H]1[C@H]([C@@H]2C3=C(C(=O)OC3)[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H]2OC(C)=O)C2=C(C(=O)OC2)[C@@]2(C)CCCC(C)(C)[C@H]12 |
| Inchi | InChI=1S/C34H46O8/c1-17(35)41-25-21(19-15-39-29(37)23(19)33(7)13-9-11-31(3,4)27(25)33)22-20-16-40-30(38)24(20)34(8)14-10-12-32(5,6)28(34)26(22)42-18(2)36/h21-22,25-28H,9-16H2,1-8H3/t21-,22-,25+,26+,27-,28-,33+,34+/m0/s1 |
| Inchi Key | GOWXVGUUSAVPQS-OCWPFBGWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.5 |
| Records Key | ['3'] |
| Records Name | ['cinnamacrin-C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
