Bioactive Compound Details
| BioID | bio1745 |
|---|---|
| Name | JAVANICOSIDE C |
| ChEMBL ID | CHEMBL446883 |
| Molecular Formula | C32H40O16 |
| Molecular Weight | 680.66 |
| Molecular Weight (Monoisotopic) | 680.2316 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Javanicoside C |
| Smiles | COC(=O)[C@@]12OC[C@@]34[C@@H](CC5=C(C)C(=O)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24 |
| Inchi | InChI=1S/C32H40O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t15-,16-,19-,20+,21-,22-,23-,24-,25-,26+,28-,30+,31-,32+/m1/s1 |
| Inchi Key | ITAQGRSJJGHHKP-ZAJWGGORSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.09 |
| Records Key | ['4'] |
| Records Name | ['Javanicoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
