Bioactive Compound Details
| BioID | bio1040 |
|---|---|
| Name | ERYNGIOSIDE C |
| ChEMBL ID | CHEMBL1095344 |
| Molecular Formula | C55H90O23 |
| Molecular Weight | 1119.3 |
| Molecular Weight (Monoisotopic) | 1118.5873 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Eryngioside C |
| Smiles | C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[C@H]2CC(C)(C)C[C@H]3C4=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@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[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@]4(C)CC(=O)[C@@]23CO)O[C@H]1CO |
| Inchi | InChI=1S/C55H90O23/c1-23-26(18-56)71-46(42(69)35(23)62)76-34-17-50(2,3)15-25-24-9-10-31-52(6)13-12-33(51(4,5)30(52)11-14-53(31,7)54(24,8)16-32(61)55(25,34)22-60)75-48-44(40(67)37(64)28(20-58)73-48)78-49-45(41(68)38(65)29(21-59)74-49)77-47-43(70)39(66)36(63)27(19-57)72-47/h9,23,25-31,33-49,56-60,62-70H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29+,30-,31+,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,52-,53+,54+,55-/m0/s1 |
| Inchi Key | BLKFVFAMBJBURS-XJFHVWSLSA-N |
| Molecular Species | None |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | None |
| Records Key | ['44'] |
| Records Name | ['Eryngioside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
