Bioactive Compound Details
| BioID | bio1289 |
|---|---|
| Name | SOLANIGROSIDE C |
| ChEMBL ID | CHEMBL509104 |
| Molecular Formula | C51H82O26 |
| Molecular Weight | 1111.19 |
| Molecular Weight (Monoisotopic) | 1110.5094 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | solanigroside C |
| Smiles | C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1[C@H](O)[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]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/C51H82O26/c1-17-11-27(56)51(77-44(17)67)18(2)28-41(76-51)33(60)29-21-6-5-19-12-20(7-9-49(19,3)22(21)8-10-50(28,29)4)68-45-39(66)36(63)40(26(16-55)72-45)73-48-43(75-47-38(65)35(62)31(58)24(14-53)70-47)42(32(59)25(15-54)71-48)74-46-37(64)34(61)30(57)23(13-52)69-46/h17-43,45-48,52-66H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+,43-,45-,46+,47+,48+,49+,50-,51-/m1/s1 |
| Inchi Key | CEOFBCAKZKYATO-CXLACSAPSA-N |
| Molecular Species | None |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | None |
| Records Key | ['2, solanigroside C'] |
| Records Name | ['(22R,25R)-3beta,15alpha,23alpha-trihydroxy-5alpha-spirostan-26-one 3-O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-galactopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
