Chemical Component Summary | |
|---|---|
| Name | isoquercetin |
| Identifiers | 2-[3,4-bis(oxidanyl)phenyl]-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one |
| Formula | C21 H20 O12 |
| Molecular Weight | 464.376 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| InChI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 |
| InChIKey | OVSQVDMCBVZWGM-QSOFNFLRSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 53 |
| Chiral Atom Count | 5 |
| Bond Count | 56 |
| Aromatic Bond Count | 12 |
Drug Info: DrugBank
| DrugBank ID | DB12665? |
|---|---|
| Name | Isoquercetin |
| Groups | investigational |
| Description | Isoquercetin has been used in trials studying the treatment of Kidney Cancer, Renal cell carcinoma, Advanced Renal Cell Carcinoma, Thromboembolism of Vein in Pancreatic Cancer, and Thromboembolism of Vein VTE in Colorectal Cancer, among others. |
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| CAS number | 482-35-9 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL250450 |
| PubChem | 5280804 |
| ChEMBL | CHEMBL250450 |
| ChEBI | CHEBI:68352 |
