Bioactive Compound Details
| BioID | bio577 |
|---|---|
| Name | JACAGLABROSIDE C |
| ChEMBL ID | CHEMBL1094581 |
| Molecular Formula | C38H36O15 |
| Molecular Weight | 732.69 |
| Molecular Weight (Monoisotopic) | 732.2054 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | jacaglabroside C |
| Smiles | O=C1C=CC(O)(CC(=O)OC[C@H]2O[C@@H](OC(=O)CC3(O)C=CC(=O)C=C3)[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H](OC(=O)Cc3ccccc3)[C@@H]2O)C=C1 |
| Inchi | InChI=1S/C38H36O15/c39-25-8-6-24(7-9-25)19-30(43)52-35-34(51-29(42)18-23-4-2-1-3-5-23)33(46)28(22-49-31(44)20-37(47)14-10-26(40)11-15-37)50-36(35)53-32(45)21-38(48)16-12-27(41)13-17-38/h1-17,28,33-36,39,46-48H,18-22H2/t28-,33-,34+,35-,36+/m1/s1 |
| Inchi Key | GHEHDLIRXALOSL-SGJBUNNMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.2 |
| Records Key | ['3, jacaglabroside C'] |
| Records Name | ['1,6-bis(1-hydroxy-4-oxo-2,5-cyclohexadiene-1-acetyl)-2-(para-hydroxybenzeneacetyl)-3-benzeneacetyl-beta-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
