Bioactive Compound Details
| BioID | bio769 |
|---|---|
| Name | CALENDULAGYCOSIDE C |
| ChEMBL ID | CHEMBL504681 |
| Molecular Formula | C48H76O19 |
| Molecular Weight | 957.12 |
| Molecular Weight (Monoisotopic) | 956.4981 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Calendulagycoside C |
| Smiles | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Inchi | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| Inchi Key | QZMAEZWZCGBZFK-AOJWCAIYSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 2.28 |
| Records Key | ['6'] |
| Records Name | ['calendulagycoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
