Bioactive Compound Details
| BioID | bio595 |
|---|---|
| Name | CHAMAELIROSIDE C |
| ChEMBL ID | CHEMBL2086411 |
| Molecular Formula | C47H80O20 |
| Molecular Weight | 965.14 |
| Molecular Weight (Monoisotopic) | 964.5243 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | chamaeliroside C |
| Smiles | CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H](C(C)C)[C@H](O)C[C@@H](C)[C@H]2[C@@H](O)C[C@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]1C |
| Inchi | InChI=1S/C47H80O20/c1-18(2)41(67-44-40(60)37(57)42(20(4)62-44)63-21(5)49)29(52)12-19(3)32-28(51)15-25-23-14-27(50)26-13-22(8-10-46(26,6)24(23)9-11-47(25,32)7)64-45-39(59)36(56)34(54)31(66-45)17-61-43-38(58)35(55)33(53)30(16-48)65-43/h18-20,22-45,48,50-60H,8-17H2,1-7H3/t19-,20-,22+,23-,24+,25+,26-,27-,28+,29-,30-,31-,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46-,47+/m1/s1 |
| Inchi Key | ISKGGEOAHJUSOP-OQRWGDMKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 2.21 |
| Records Key | ['6, chamaeliroside C'] |
| Records Name | ['(23R,24S)-24-[(4-O-acetyl-beta-D-fucopyranosyl)oxy]-6beta,16beta,23-trihydroxy-5alpha-cholestan-3beta-yl-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
