Bioactive Compound Details
| BioID | bio1538 |
|---|---|
| Name | HYPOGLAUNINE C |
| ChEMBL ID | CHEMBL501891 |
| Molecular Formula | C43H49NO19 |
| Molecular Weight | 883.85 |
| Molecular Weight (Monoisotopic) | 883.2899 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Hypoglaunine C |
| Smiles | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1C(C)C(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@]4(C)O |
| Inchi | InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(59-24(5)48)42(19-55-21(2)45)35(60-25(6)49)31(61-36(50)26-13-11-10-12-14-26)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)58-23(4)47/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20?,29-,30-,31+,32-,33+,34-,35+,39+,40?,41+,42-,43+/m1/s1 |
| Inchi Key | MOTYOVLJDKAHIA-SWFKUUAOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.64 |
| Records Key | ['21'] |
| Records Name | ['Hypoglaunine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
