Bioactive Compound Details
| BioID | bio1738 |
|---|---|
| Name | SHOMASIDE C |
| ChEMBL ID | CHEMBL1096591 |
| Molecular Formula | C27H30O15 |
| Molecular Weight | 594.52 |
| Molecular Weight (Monoisotopic) | 594.1585 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Shomaside C |
| Smiles | COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C27H30O15/c1-39-17-10-13(4-8-16(17)40-25-22(33)21(32)20(31)18(12-28)41-25)5-9-19(30)42-23(24(34)35)27(38,26(36)37)11-14-2-6-15(29)7-3-14/h2-10,18,20-23,25,28-29,31-33,38H,11-12H2,1H3,(H,34,35)(H,36,37)/b9-5+/t18-,20-,21+,22-,23-,25-,27-/m1/s1 |
| Inchi Key | UEFRIVIHMWFPPY-NKQMXYLVSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.61 |
| Records Key | ['3'] |
| Records Name | ['Shomaside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
