Bioactive Compound Details
| BioID | bio339 |
|---|---|
| Name | QUIQUESETINERVIUSIDE C |
| ChEMBL ID | CHEMBL1224879 |
| Molecular Formula | C44H48O21 |
| Molecular Weight | 912.85 |
| Molecular Weight (Monoisotopic) | 912.2688 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | quiquesetinerviuside C |
| Smiles | COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](CO)[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H](O)[C@H]3OC(C)=O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O |
| Inchi | InChI=1S/C44H48O21/c1-23(47)60-41-39(55)40(62-36(52)15-9-25-6-12-28(49)31(18-25)57-3)33(20-45)61-43(41)65-44(22-46)42(63-37(53)16-10-26-7-13-29(50)32(19-26)58-4)38(54)34(64-44)21-59-35(51)14-8-24-5-11-27(48)30(17-24)56-2/h5-19,33-34,38-43,45-46,48-50,54-55H,20-22H2,1-4H3/b14-8+,15-9+,16-10+/t33-,34-,38-,39+,40-,41-,42+,43-,44+/m1/s1 |
| Inchi Key | HULSANORWWCGEU-QMRYJMHISA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.23 |
| Records Key | ['3, quiquesetinerviuside C'] |
| Records Name | ['(3,6-O-diferuloyl)-beta-D-fructofuranosyl-(2->1)-(4-O-feruloyl-2-O-acetyl)-alpha-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
