Bioactive Compound Details
| BioID | bio1629 |
|---|---|
| Name | KALANCHOSIDE C |
| ChEMBL ID | CHEMBL1169614 |
| Molecular Formula | C30H42O9 |
| Molecular Weight | 546.66 |
| Molecular Weight (Monoisotopic) | 546.2829 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Kalanchoside C |
| Smiles | C[C@@H]1C[C@H](O)[C@H](O)[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O1 |
| Inchi | InChI=1S/C30H42O9/c1-17-13-23(32)25(34)26(38-17)39-19-5-10-28(16-31)21-6-9-27(2)20(18-3-4-24(33)37-15-18)8-12-30(27,36)22(21)7-11-29(28,35)14-19/h3-4,15-17,19-23,25-26,32,34-36H,5-14H2,1-2H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1 |
| Inchi Key | ZQKJLHNHJIEPBK-ZNDDOCHDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 7.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 2.82 |
| Records Key | ['105'] |
| Records Name | ['Kalanchoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
