Bioactive Compound Details
| BioID | bio1028 |
|---|---|
| Name | CAMELLIQUERCETISIDE C |
| ChEMBL ID | CHEMBL1957048 |
| Molecular Formula | C41H44O22 |
| Molecular Weight | 888.78 |
| Molecular Weight (Monoisotopic) | 888.2324 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Camelliquercetiside C |
| Smiles | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C41H44O22/c1-15-28(49)32(53)34(55)39(58-15)57-14-25-30(51)36(62-40-33(54)29(50)23(47)13-56-40)38(61-26(48)9-4-16-2-6-18(42)7-3-16)41(60-25)63-37-31(52)27-22(46)11-19(43)12-24(27)59-35(37)17-5-8-20(44)21(45)10-17/h2-12,15,23,25,28-30,32-34,36,38-47,49-51,53-55H,13-14H2,1H3/b9-4+/t15-,23-,25+,28-,29-,30+,32+,33+,34+,36-,38+,39+,40-,41-/m0/s1 |
| Inchi Key | WJNXAFADOMWGIU-UFYQSDDJSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.9 |
| Records Key | ['19, Camelliquercetiside C'] |
| Records Name | [quercetin 3-O-[alpha-L-arabinopyranosyl(1->3)][2-O''-(E)-p-coumaroyl][alpha-L-rhamnopyranosyl(1->6)]-beta-D-glucoside"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
