QUERCETIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 9IKM0I5T1E
EPA CompTox DTXSID4021218

Structure

InChI Key REFJWTPEDVJJIY-UHFFFAOYSA-N
Smiles O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O7
Molecular Weight 302.24
AlogP 1.99
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 131.36
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A1
- - - 660 31.5
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1B Cytochrome P450 1B1
- 77-77 - 23-23 67.2
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 12 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- - - - 95
Enzyme Hydrolase
- 600 - - 6.73-83.6
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- - - - 99
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- - - - 55
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 64-70
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- - - - 64
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- - - - 64
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- - - - 64
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family
- - - - 64-70
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - - - 37
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- - - - 25
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - - - 35
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily
- - - - 37.34-81
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- - - - 56
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MAPKAPK subfamily
- - - - 51-90
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- 43-500 25 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - - - 37
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 450 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - - - 30
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- - - - 113
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - - - 101
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- - - - 103-150
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 910 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- 550-550 - - 19
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- 960 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 900 - - 25-30
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- 300 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 580 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 590 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 120 - 472 83
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 280 - - -
Enzyme Kinase Protein kinase regulatory subunit
- 550-550 - - 19
Enzyme Oxidoreductase
- 10-790 - 280 3.5-100
Enzyme Phosphatase
- - - 45.3 -
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- - - - 23
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family
- - - - 73
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M13 family
- - - - 49
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 173.8 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - 38.7 - 4-84.1
Enzyme Transferase
- 700 - - 18-90
Enzyme
- 10-790 25 22-473 3.5-100
Membrane receptor
- - - - 75.4-88.4
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 21.6-122.6
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
30-278 - - - 39
Unclassified protein
- - - - 58-83.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - - 3.5-49.67
Avian myeloblastosis virus
- - - - 41.4
Bos taurus
- 10-715 - - 18-104
Cavia porcellus
- - - - 52.5
Chromobacterium violaceum
- - - - 55.8
Clostridium perfringens
- - - - 48.89
Cricetulus griseus
- - - - 47.09-122.6
Electrophorus electricus
- - - - 18.08
Equus caballus
- - - - 6.73
Escherichia coli
- 140-140 - 0.18 25-80
Escherichia coli BL21(DE3)
- - - - 81.3
Glycine max
- - - - 35
Homo sapiens
30-278 12-960 25-38.7 23-472 -2.64-150
Human immunodeficiency virus 1
- 600 - - -
Influenza A virus
84.46 - - - -
Influenza A virus (A/California/07/2009(H1N1))
- 670 - - -
Mus musculus
- - - - -8.8-88.9
Oryctolagus cuniculus
- 430 - - 9-99.9
Ovis aries
- - - - 13
Plasmodium falciparum
- - - 22-473 -
Potato virus X
- - - - 100
Rattus norvegicus
- 205 - 45.3 5.2-100
Saccharomyces cerevisiae
- 15 - - 5.3
Salmonella enterica subsp. enterica serovar Typhimurium
- - - - 0-50
Severe acute respiratory syndrome coronavirus 2
- - - - 67.19
Sus scrofa
- - - - 36.3
Vibrio cholerae
- - - - 29.29
Zea mays
- 850 - - -
mushroom
- - - - 40-80

Related Entries

Cross References

Resources Reference
ChEBI 16243
ChEMBL CHEMBL50
DrugBank DB04216
DrugCentral 3514
FDA SRS 9IKM0I5T1E
Human Metabolome Database HMDB0005794
Guide to Pharmacology 5346
KEGG C00389
PDB QUE
PubChem 5280343
SureChEMBL SCHEMBL19723
ZINC ZINC000003869685
CONTENTS