Bioactive Compound Details
| BioID | bio1091 |
|---|---|
| Name | REBAUDIOSIDE C |
| ChEMBL ID | CHEMBL501040 |
| Molecular Formula | C44H70O22 |
| Molecular Weight | 951.02 |
| Molecular Weight (Monoisotopic) | 950.4359 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Rebaudioside C |
| Smiles | C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)C3 |
| Inchi | InChI=1S/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)26(50)20(14-46)61-37)23(43)7-11-44(17,16-43)66-39-35(30(54)24(48)18(2)59-39)64-38-33(57)34(27(51)21(15-47)62-38)63-36-31(55)28(52)25(49)19(13-45)60-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1 |
| Inchi Key | QQTFOVGHROHUAS-ICZSXHKCSA-N |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 16.0 |
| Np Likeness Score | 1.84 |
| Records Key | ['3', 'Rebaudioside C'] |
| Records Name | ['Rebaudioside C', 'Rebaudioside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
