PDB CCD ID: | QUE |
Number of entries in BioLiP: | 92 |
Chemical formula: | C15 H10 O7 |
InChI: | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
InChIKey: | REFJWTPEDVJJIY-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O | OpenEye OEToolkits 1.5.0 | c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O | ACDLabs 10.04 | O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O |
|
Name: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE; QUERCETIN |
ChEMBL: | CHEMBL50 |
DrugBank: | DB04216 |
ZINC: | ZINC000003869685 |