Bioactive Compound Details
| BioID | bio1105 |
|---|---|
| Name | POLIANTHOSIDE C |
| ChEMBL ID | CHEMBL507534 |
| Molecular Formula | C57H94O28 |
| Molecular Weight | 1227.35 |
| Molecular Weight (Monoisotopic) | 1226.5932 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | polianthoside C |
| Smiles | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Inchi | InChI=1S/C57H94O28/c1-21-7-12-57(74-20-21)22(2)34-28(85-57)14-27-25-6-5-23-13-24(8-10-55(23,3)26(25)9-11-56(27,34)4)75-50-44(72)41(69)46(33(19-62)80-50)81-54-49(48(38(66)32(18-61)79-54)83-52-43(71)40(68)36(64)30(16-59)77-52)84-53-45(73)47(37(65)31(17-60)78-53)82-51-42(70)39(67)35(63)29(15-58)76-51/h21-54,58-73H,5-20H2,1-4H3/t21-,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+,48+,49-,50-,51+,52+,53+,54+,55+,56+,57-/m1/s1 |
| Inchi Key | YDSTYXYWSNXCIJ-QIJGKAMASA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['2, polianthoside C'] |
| Records Name | ['tigogenin3-O-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
