Bioactive Compound Details
| BioID | bio593 |
|---|---|
| Name | ARGANINE C |
| ChEMBL ID | CHEMBL505976 |
| Molecular Formula | C58H94O28 |
| Molecular Weight | 1239.36 |
| Molecular Weight (Monoisotopic) | 1238.5932 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Arganine C |
| Smiles | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](OC(=O)[C@]56CCC(C)(C)C[C@H]5C5=CC[C@@H]7[C@@]8(C)C[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@](C)(CO)[C@@H]8[C@H](O)C[C@@]7(C)[C@]5(C)C[C@H]6O)OC[C@H](O)[C@@H]4O)O[C@H]3C)OC[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C58H94O28/c1-21-32(66)35(69)38(72)48(79-21)83-43-28(64)19-77-47(41(43)75)82-42-22(2)80-49(40(74)37(42)71)84-44-33(67)27(63)18-78-51(44)86-52(76)58-12-11-53(3,4)13-24(58)23-9-10-30-54(5)14-26(62)46(85-50-39(73)36(70)34(68)29(17-59)81-50)55(6,20-60)45(54)25(61)15-57(30,8)56(23,7)16-31(58)65/h9,21-22,24-51,59-75H,10-20H2,1-8H3/t21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44+,45+,46-,47-,48-,49-,50-,51-,54+,55-,56+,57+,58+/m0/s1 |
| Inchi Key | SHKGFTXUBGNKSG-YMGHLUITSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['1'] |
| Records Name | ['Arganine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
