acompound

General Compound Information
BXGC Id	BXGC0006066
Compound Name	Prunetin
Structure
Formula	C16H12O5
InchiKey	KQMVAGISDHMXJJ-UHFFFAOYSA-N
SMILES	COC1=CC2=C(C(O)=C1)C(=O)C(=CO2)C1=CC=C(O)C=C1
Inchi	InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
IUPAC	5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
Molecular Weight	284.27
Pubchem Id	5281804
Chembl Id	CHEMBL491174

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	-	4	-	-
reviewed	BXGT009355	Nitric oxide synthase, inducible	reviewed		Nos2	-	10500	-	-
reviewed	BXGT006312	Aldehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH2	450	-	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Emax	'='	94	%
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	IC50	'='	10500	nM
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Activity	-	-	-
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	IC50	-	-	-
P00533	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	IC50	'='	4	ug.mL-1
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	EC150	'='	3	uM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	Inhibition	'='	58	%
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	EC150	'='	3	uM
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Activity	'='	1	-
P05091	BXGT006312	Aldehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH2	Ki	'='	450	nM
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Activity	'='	9	%
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Activity	-	-	-
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Activity	'='	60	%
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	Inhibition	'>'	90	%
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	Inhibition	-	-	-
P06401	BXGT006436	Progesterone receptor	reviewed	Nuclear receptor	PGR	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00143	Prunus (Cherry, Plum)	Prunus	Fruits
BXGF00144	Apricot	Prunus armeniaca	Fruits
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF01325	Murraya exotica	Murraya exotica	Medicinal Plant
BXGF01538	Pteridium aquilinum	Pteridium aquilinum	Medicinal Plant
BXGF01846	Klasea sogdiana	Klasea sogdiana	Others
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02626	Dalbergia odorifera	Dalbergia odorifera	Medicinal Plant
BXGF03242	Crotalaria lachnophora	Crotalaria lachnophora	Human Edible Plant
BXGF03397	Trifolium pratense	Trifolium pratense	Medicinal Plant
BXGF03619	Neolitsea daibuensis	Neolitsea daibuensis	Others
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04382	Murraya paniculata	Murraya paniculata	Medicinal Plant
BXGF04691	Oroxylum indicum	Oroxylum indicum	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF05402	Myristica malabarica	Myristica malabarica	Medicinal Plant
BXGF05991	Asclepias vestita	Asclepias vestita	Others
BXGF06079	Pueraria montana var. lobata	Pueraria montana var. lobata	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}