Bioactive Compound Details
| BioID | bio1769 |
|---|---|
| Name | ACACIOSIDE C |
| ChEMBL ID | CHEMBL506714 |
| Molecular Formula | C57H83NO19 |
| Molecular Weight | 1086.28 |
| Molecular Weight (Monoisotopic) | 1085.5559 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Acacioside C |
| Smiles | CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H](OC(=O)/C=C/c7ccccc7)C[C@]6(C(=O)O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
| Inchi | InChI=1S/C57H83NO19/c1-28(59)58-41-45(67)44(66)34(27-73-50-47(43(65)33(61)26-72-50)77-49-46(68)42(64)32(60)25-71-49)74-48(41)76-38-19-20-54(6)35(53(38,4)5)18-21-55(7)36(54)16-15-30-31-22-52(2,3)39(75-40(63)17-14-29-12-10-9-11-13-29)24-57(31,51(69)70)37(62)23-56(30,55)8/h9-15,17,31-39,41-50,60-62,64-68H,16,18-27H2,1-8H3,(H,58,59)(H,69,70)/b17-14+/t31-,32-,33-,34+,35-,36+,37+,38-,39-,41+,42-,43-,44+,45+,46+,47+,48-,49-,50-,54-,55+,56+,57+/m0/s1 |
| Inchi Key | ACXXXCPCILHADS-MWYXWDNYSA-N |
| Molecular Species | None |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | None |
| Records Key | ['6, Acacioside C'] |
| Records Name | ['3-O-[alpha-L-arabinopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranosyl]-21-O-trans-cinnamoylacacic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
