acompound

Showing entry for Quercetagetin

General Compound Information
BXGC Id	BXGC0005678
Compound Name	Quercetagetin
Structure
Formula	C15H10O8
InchiKey	ZVOLCUVKHLEPEV-UHFFFAOYSA-N
SMILES	OC1=CC2=C(C(O)=C1O)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1
Inchi	InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
IUPAC	2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one
Molecular Weight	318.24
Pubchem Id	5281680
Chembl Id	CHEMBL413552

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

MYU

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
P11309	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	PIM1	Kinase	-	-	340	-
P45983	BXGT010494	Mitogen-activated protein kinase 8	reviewed	MAPK8	Kinase	-	-	-	-

Binding DB

23408

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	BXGT006255	Alpha-amylase 1	reviewed		AMY1A	-	10200	-	-
reviewed	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	-	340	-	-
reviewed	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	-	2620	-	-
reviewed	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	-	339	-	-
reviewed	BXGT009301	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	reviewed	Enzyme	CD38	-	48600	-	-

CHEMBL

CHEMBL413552

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
Q76353	BXGT016849	Integrase	unreviewed	-		IC50	'='	800	nM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	Activity	-	-	-
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Activity	-	-	-
Q00653	BXGT012541	Nuclear factor NF-kappa-B p100 subunit	reviewed	Transcription factor	NFKB2	Activity	-	-	-
P04745	BXGT006255	Alpha-amylase 1	reviewed	-	AMY1A	IC50	'='	10200	nM
P04745	BXGT006255	Alpha-amylase 1	reviewed	-	AMY1A	Inhibition	'='	97	%
Q03114	BXGT012692	Cyclin-dependent-like kinase 5	reviewed	-	Cdk5	EC50	-	-	-
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	800	nM
P11309	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	IC50	'='	340	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	1300	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	100	nM
Q86831	BXGT017584	Polyprotein II	unreviewed	-		Inhibition	'='	98	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	600	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Activity	-	-	-
P11309	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	#NAME?	'='	0	uM
P28907	BXGT009301	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	reviewed	Enzyme	CD38	IC50	'='	48600	nM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	Inhibition	-	-	-
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Inhibition	-	-	-
Q00653	BXGT012541	Nuclear factor NF-kappa-B p100 subunit	reviewed	Transcription factor	NFKB2	Inhibition	-	-	-
P17599	BXGT008321	Synapsin-1	reviewed	-	SYN1	IC50	'='	150	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF04913	Acacia catechu	Acacia catechu	Medicinal Plant
BXGF06166	Polypodiodes formosana	Polypodiodes formosana	Others

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}