Bioactive Compound Details
| BioID | bio747 |
|---|---|
| Name | HYEMALOSIDE C |
| ChEMBL ID | CHEMBL506679 |
| Molecular Formula | C40H30O23 |
| Molecular Weight | 878.66 |
| Molecular Weight (Monoisotopic) | 878.1178 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Hyemaloside C |
| Smiles | O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](Oc2ccc(O)cc2)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1 |
| Inchi | InChI=1S/C40H30O23/c41-14-1-3-15(4-2-14)59-40-35(63-37(55)13-7-20(44)28(49)21(45)8-13)34(62-36(54)12-5-18(42)27(48)19(43)6-12)33-24(60-40)11-58-38(56)16-9-22(46)29(50)31(52)25(16)26-17(39(57)61-33)10-23(47)30(51)32(26)53/h1-10,24,33-35,40-53H,11H2/t24-,33-,34+,35-,40-/m1/s1 |
| Inchi Key | BIUWKTLZFMHRQE-RYQQTUIDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.1 |
| Records Key | ['3'] |
| Records Name | ['hyemaloside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
