Bioactive Compound Details
| BioID | bio1558 |
|---|---|
| Name | PAEONIDANIN C |
| ChEMBL ID | CHEMBL1078414 |
| Molecular Formula | C31H34O13 |
| Molecular Weight | 614.6 |
| Molecular Weight (Monoisotopic) | 614.1999 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | paeonidanin C |
| Smiles | CO[C@H]1O[C@@]2(C)CC(=O)[C@H]3C[C@]2(O[C@@H]2O[C@H](COC(=O)c4ccccc4)[C@@H](O)[C@H](O)[C@H]2O)[C@]13COC(=O)c1ccc(O)cc1 |
| Inchi | InChI=1S/C31H34O13/c1-29-13-20(33)19-12-31(29,30(19,28(39-2)44-29)15-41-26(38)17-8-10-18(32)11-9-17)43-27-24(36)23(35)22(34)21(42-27)14-40-25(37)16-6-4-3-5-7-16/h3-11,19,21-24,27-28,32,34-36H,12-15H2,1-2H3/t19-,21-,22-,23+,24-,27+,28+,29+,30+,31-/m1/s1 |
| Inchi Key | PBDROKLULCIDPL-WNKDLFHOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.81 |
| Records Key | ['4, paeonidanin C'] |
| Records Name | [6'-O-benzoyl-4''-hydroxypaeonidanin"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
