Bioactive Compound Details
| BioID | bio1324 |
|---|---|
| Name | BALSAMINOSIDE C |
| ChEMBL ID | CHEMBL1928851 |
| Molecular Formula | C36H60O8 |
| Molecular Weight | 620.87 |
| Molecular Weight (Monoisotopic) | 620.4288 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | balsaminoside C |
| Smiles | CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C |
| Inchi | InChI=1S/C36H60O8/c1-19(2)15-21(38)16-20(3)22-11-12-36(8)31-25(43-32-30(42)29(41)28(40)26(18-37)44-32)17-24-23(9-10-27(39)33(24,4)5)34(31,6)13-14-35(22,36)7/h15,17,20-23,25-32,37-42H,9-14,16,18H2,1-8H3/t20-,21+,22-,23-,25+,26-,27+,28-,29+,30-,31-,32-,34+,35-,36+/m1/s1 |
| Inchi Key | POYBZOIHJHDZFP-WCZKZDBDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 3.29 |
| Records Key | ['3, balsaminoside C'] |
| Records Name | ['cucurbita-5,24-diene-3beta,23(R)-diol-7-O-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
