Bioactive Compound Details
| BioID | bio1108 |
|---|---|
| Name | HELIOSIDE C |
| ChEMBL ID | CHEMBL2295849 |
| Molecular Formula | C40H54O24 |
| Molecular Weight | 918.85 |
| Molecular Weight (Monoisotopic) | 918.3005 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)ccc1O |
| Inchi | InChI=1S/C40H54O24/c1-55-23-11-16(3-6-19(23)43)4-7-26(47)62-34-25(15-59-37-31(52)27(48)21(45)13-57-37)61-40(56-9-8-17-2-5-18(42)20(44)10-17)36(64-38-32(53)28(49)22(46)14-58-38)35(34)63-39-33(54)30(51)29(50)24(12-41)60-39/h2-7,10-11,21-22,24-25,27-46,48-54H,8-9,12-15H2,1H3/b7-4+/t21-,22-,24+,25+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36+,37-,38-,39-,40+/m0/s1 |
| Inchi Key | QELCQHZMSNOQKE-GCYADNSMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.41 |
| Records Key | ['6'] |
| Records Name | ['Helioside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
