Bioactive Compound Details
| BioID | bio1813 |
|---|---|
| Name | JUNCEELLOSIDE C |
| ChEMBL ID | CHEMBL2333556 |
| Molecular Formula | C34H56O8 |
| Molecular Weight | 592.81 |
| Molecular Weight (Monoisotopic) | 592.3975 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | junceelloside C |
| Smiles | CC(=O)OC(C)(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(CO)[C@H]3CC[C@]12C |
| Inchi | InChI=1S/C34H56O8/c1-20(7-6-14-32(3,4)42-21(2)36)25-10-11-26-24-9-8-22-17-23(41-31-30(39)29(38)28(37)18-40-31)12-16-34(22,19-35)27(24)13-15-33(25,26)5/h8,20,23-31,35,37-39H,6-7,9-19H2,1-5H3/t20-,23+,24+,25-,26+,27+,28+,29+,30-,31-,33-,34-/m1/s1 |
| Inchi Key | PFOFQIZGKYNMTR-ZKTPFVJWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.64 |
| Records Key | ['1, junceelloside C'] |
| Records Name | ['25-O-acetyl-3-O-[beta-L-arabinopyranosyloxy]cholest-5-ene-3beta,19,25-triol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
