Bioactive Compound Details
| BioID | bio1699 |
|---|---|
| Name | AFEROSIDE C |
| ChEMBL ID | CHEMBL500494 |
| Molecular Formula | C38H60O12 |
| Molecular Weight | 708.89 |
| Molecular Weight (Monoisotopic) | 708.4085 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | aferoside C |
| Smiles | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Inchi | InChI=1S/C38H60O12/c1-19-7-12-38(46-16-19)20(2)28-26(50-38)14-25-23-6-5-21-13-22(8-10-35(21,3)24(23)9-11-36(25,28)4)47-33-30(42)29(41)31(27(15-39)48-33)49-34-32(43)37(44,17-40)18-45-34/h5,19-20,22-34,39-44H,6-18H2,1-4H3/t19-,20+,22+,23-,24+,25+,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37-,38-/m1/s1 |
| Inchi Key | HSFUKIRWXZECRI-LMUKXBFDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 3.17 |
| Records Key | ['2, aferoside C'] |
| Records Name | ['3-O-{beta-D-apiofuranosyl-(1->4)-beta-D-glucopyranosyl}-25(R)-spirost-5-en-3beta-ol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
