DQH

(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE

Created:	2001-10-30
Last modified:	2021-03-13

Find Related PDB Entry
7 entries where DQH is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	2
Bond Count	36
Aromatic Bond Count	12

2D diagram of DQH

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE
Synonyms	(2R,3R)-TRANS-DIHYDROQUERCETIN
Systematic Name (OpenEye OEToolkits)	(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one
Formula	C₁₅ H₁₂ O₇
Molecular Weight	304.252
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O
SMILES	CACTVS	3.341	O[CH]1[CH](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C15H12O7/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/h1-5,14-19,21H/t14-,15+/m0/s1
InChIKey	InChI	1.03	CXQWRCVTCMQVQX-LSDHHAIUSA-N

Drug Info: DrugBank

DrugBank ID	DB02224
Name	Taxifolin
Groups	experimental
Synonyms	Dihydroquercetin (2R,3R)-3,3',4',5,7-pentahydroxyflavanone (+)-(2R,3R)-dihydroquercetin Taxifolin (2R,3R)-(+)-taxifolin (+)-dihydroquercetin (2R,3R)-dihydroquercetin (+)-taxifolin
Categories	Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antirheumatic Agents Benzopyrans Chromones Flavonoids Flavonols Heterocyclic Compounds, Fused-Ring Non COX-2 selective NSAIDS Peripheral Nervous System Agents Pyrans Sensory System Agents
CAS number	480-18-2

Related Resource References

Resource Name	Reference
Pharos	CHEMBL66
PubChem	439533
ChEMBL	CHEMBL66
ChEBI	CHEBI:17948

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.