Bioactive Compound Details
| BioID | bio1825 |
|---|---|
| Name | ALLIVICTOSIDE C |
| ChEMBL ID | CHEMBL2206199 |
| Molecular Formula | C42H46O23 |
| Molecular Weight | 918.81 |
| Molecular Weight (Monoisotopic) | 918.243 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Allivictoside C |
| Smiles | O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](Oc2c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| Inchi | InChI=1S/C42H46O23/c43-13-23-28(49)32(53)35(56)40(61-23)58-19-8-4-17(5-9-19)37-38(31(52)27-21(47)11-20(12-22(27)60-37)59-41-36(57)33(54)29(50)24(14-44)62-41)65-42-39(34(55)30(51)25(15-45)63-42)64-26(48)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-36,39-47,49-51,53-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,36-,39-,40-,41-,42+/m1/s1 |
| Inchi Key | CXRZYTKTWBIBOA-RYYZHUTJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.36 |
| Records Key | ['3, Allivictoside C'] |
| Records Name | [kaempferol 3-O-beta-D-[2''-(E)-pcoumaroylglucopyranosyl]-4',7-O-beta-D-diglucopyranoside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
