Phyto4Health

Fisetin

Representations & DB's id
ChEBI: CHEBI:42567
ChEMBL: CHEMBL31574
PubChem: 5281614
IUPAC: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
Standard 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
Standard InChI Key: XHEFDIBZLJXQHF-UHFFFAOYSA-N
SMILES: Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O

Molecular propeties
AlogP: 2.28
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 4
Rotatable bonds: 1
Number of rings: 3
Molecular Weight: 286.05
Topological polar surface area: 107
Number of aromatic rings: 3
Fsp3: 0
Number of carbons: 15

Plant sources

Part of plant Plant name Ref.
HerbaHypericum perforatum
PlantGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50850 nMCyclin-dependent kinase 6Q00534
Others0 %Serine/threonine-protein kinase PIM1P11309
Others0 %Serine/threonine-protein kinase PIM1P11309
IC5019600 nMSalivary alpha-amylaseP04745
Others85.6 %Salivary alpha-amylaseP04745
Others50 %DNA topoisomerase II alphaP11388
IC508.2 ug/mlDNA topoisomerase II alphaP11388
Ki90000 nMButyrylcholinesteraseP06276
Ki100200 nMAcetylcholinesteraseP22303
Potency22387.2 nMPrelamin-A/CP02545
Potency3162.3 nMATP-dependent DNA helicase Q1P46063
Potency31622.8 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency31622.8 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency14125.4 nMLysine-specific demethylase 4D-likeB2RXH2
Potency31622.8 nMHemoglobin beta chainP68871
Potency891.3 nMDNA-(apurinic or apyrimidinic site) lyaseP27695
Potency19952.6 nMCaspase-7P55210
Potency15848.9 nMCaspase-7P55210
Potency5011.9 nMMicrotubule-associated protein tauP10636
Potency7943.3 nMMicrotubule-associated protein tauP10636
Potency12589.3 nMAldehyde dehydrogenase 1A1P00352
Potency5011.9 nMArachidonate 15-lipoxygenaseP16050
Potency1995.3 nMArachidonate 15-lipoxygenaseP16050
Potency15848.9 nMArachidonate 12-lipoxygenaseP18054
Potency12589.3 nMMAP kinase ERK2P28482
Potency10000 nMCREB-binding proteinQ92793
Potency7943.3 nMCREB-binding proteinQ92793
Potency8912.5 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency7943.3 nMMAP kinase ERK2P28482
Potency31622.8 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency15848.9 nMCaspase-1P29466
Potency1258.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency25118.9 nMCaspase-1P29466
Potency1995.3 nMCellular tumor antigen p53P04637
Potency2511.9 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency19952.6 nMCellular tumor antigen p53P04637
Potency25118.9 nMCytochrome P450 3A4P08684
Potency39810.7 nMCytochrome P450 3A4P08684
Potency25118.9 nMCytochrome P450 2C9P11712
Potency19952.6 nMCytochrome P450 2C9P11712
Potency25118.9 nMCREB-binding proteinQ92793
Potency25118.9 nMCREB-binding proteinQ92793
Potency25118.9 nMCytochrome P450 3A4P08684
Potency39810.7 nMCytochrome P450 3A4P08684
Potency15848.9 nMArachidonate 15-lipoxygenase, type IIO15296
Others570 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others64 pm/min/mgUDP-glucuronosyltransferase 1-1P22309
Others65 pm/min/mgUDP-glucuronosyltransferase 1-10Q9HAW8
Others276 pm/min/mgUDP-glucuronosyltransferase 1-3P35503
Others0 pm/min/mgUDP-glucuronosyltransferase 1A4P22310
Others0 pm/min/mgUDP-glucuronosyltransferase 1-6P19224
Others598 pm/min/mgUDP-glucuronosyltransferase 1-8Q9HAW9
Others1700 pm/min/mgUDP-glucuronosyltransferase 1-9O60656
Others0 pm/min/mgUDP-glucuronosyltransferase 2B15P54855
EC5019000 nMTyrosine-protein kinase SYKP43405
IC50850 nMCyclin-dependent kinase 6Q00534
IC5012 nMAcetylcholinesteraseP22303
Others117.3 %Cytochrome P450 19A1P11511