Bioactive Compound Details
| BioID | bio1752 |
|---|---|
| Name | KANSUININ C |
| ChEMBL ID | CHEMBL504227 |
| Molecular Formula | C38H42O14 |
| Molecular Weight | 722.74 |
| Molecular Weight (Monoisotopic) | 722.2575 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Kansuinin C |
| Smiles | C=C1[C@H](OC(=O)c2ccccc2)[C@H]2[C@@H](OC(C)=O)[C@](C)(O)[C@H](OC(C)=O)[C@]2(O)C(=O)[C@@H](C)[C@H]2O[C@@H]2C(C)(C)C(=O)[C@H](O)[C@H]1OC(=O)c1ccccc1 |
| Inchi | InChI=1S/C38H42O14/c1-18-26(51-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,46)35(49-21(4)40)38(24,47)29(42)19(2)28-32(50-28)36(5,6)30(43)25(41)27(18)52-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3/t19-,24-,25+,26-,27-,28+,31+,32-,35-,37-,38+/m0/s1 |
| Inchi Key | GGNRKDBHYWEODY-AOFCAHJOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.53 |
| Records Key | ['10'] |
| Records Name | ['kansuinin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
