Bioactive Compound Details
| BioID | bio1679 |
|---|---|
| Name | ASTERLINGULATOSIDE C |
| ChEMBL ID | CHEMBL450513 |
| Molecular Formula | C52H84O21 |
| Molecular Weight | 1045.22 |
| Molecular Weight (Monoisotopic) | 1044.5505 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | asterlingulatoside C |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C52H84O21/c1-22-40(71-42-37(62)32(57)25(54)20-66-42)36(61)39(64)43(68-22)72-41-33(58)26(55)21-67-45(41)73-46(65)52-16-15-47(2,3)17-24(52)23-9-10-29-49(6)13-12-31(70-44-38(63)35(60)34(59)27(19-53)69-44)48(4,5)28(49)11-14-50(29,7)51(23,8)18-30(52)56/h9,22,24-45,53-64H,10-21H2,1-8H3/t22-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1 |
| Inchi Key | CBKUPIHIUWBHCR-WJOMFMDUSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['1, asterlingulatoside C'] |
| Records Name | ['3-O-beta-D-glucopyranosyl-3beta,16alpha-dihydroxyolean-12-en-28-oic acid 28-O-beta-D-xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinpyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
