FISETIN

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Synonyms
Status
Molecule Category Free-form
UNII OO2ABO9578
EPA CompTox DTXSID4022317

Structure

InChI Key XHEFDIBZLJXQHF-UHFFFAOYSA-N
Smiles O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12
InChI
InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O6
Molecular Weight 286.24
AlogP 2.28
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 111.13
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 12 - - 2.06-85.6
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 85
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- - - - 85
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- - - - 85
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- - - - 85
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family
- - - - 85
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily
- - - - 37.59
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 790 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 570 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 420 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 850-850 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- 350-350 - 170-350 -
Enzyme Kinase Protein kinase regulatory subunit
- 350-570 - 170 -
Enzyme
- 350-570 - 170-350 2.06-85.6
Other cytosolic protein
- 790 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 56.32-108.53
Unclassified protein
- - - - 73-85
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 15-45 - - -
Cricetulus griseus
- - - - 56.32-108.53
Electrophorus electricus
- - - - 27.48
Equus caballus
- - - - 2.06
Hepatitis C virus JFH-1
- - - - 26.4
Homo sapiens
- 12-850 - 170-350 37.59-85.6
Influenza A virus (A/California/07/2009(H1N1))
- 960 - - -
Mus musculus
- - - - 14.7
Rattus norvegicus
- 200-480 - - 85
Trypanosoma brucei
- - - - 53

Related Entries

Cross References

Resources Reference
ChEBI 42567
ChEMBL CHEMBL31574
DrugBank DB07795
FDA SRS OO2ABO9578
Guide to Pharmacology 5182
KEGG C10041
PDB FSE
PubChem 5281614
SureChEMBL SCHEMBL39454
ZINC ZINC000000039111
CONTENTS