Bioactive Compound Details
| BioID | bio1409 |
|---|---|
| Name | FISTULOSAPONIN C |
| ChEMBL ID | CHEMBL1163179 |
| Molecular Formula | C51H82O23 |
| Molecular Weight | 1063.19 |
| Molecular Weight (Monoisotopic) | 1062.5247 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | fistulosaponin C |
| Smiles | C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@H]6O)C(=O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C51H82O23/c1-19(18-66-45-40(62)37(59)34(56)30(16-52)70-45)9-12-51(65)20(2)32-29(74-51)14-26-24-8-7-23-13-28(27(54)15-50(23,6)25(24)10-11-49(26,32)5)69-48-44(38(60)35(57)31(17-53)71-48)73-47-42(64)39(61)43(22(4)68-47)72-46-41(63)36(58)33(55)21(3)67-46/h7,19-22,24-26,28-48,52-53,55-65H,8-18H2,1-6H3/t19-,20-,21-,22-,24+,25-,26-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43-,44+,45+,46-,47-,48+,49-,50-,51+/m0/s1 |
| Inchi Key | ZHCOQEJRYQKMCC-XAAXISPVSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | None |
| Records Key | ['3, fistulosaponin C'] |
| Records Name | ['(25R)-26-O-beta-D-glucopyranosyl-5-enefurostan-2-one-3R,22R,26-triol-3-O-alpha-L-rhamnopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
