acompound

Showing entry for 2'-Hydroxy-4,4',6'-trimethoxychalcone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005501
Compound Name	2'-Hydroxy-4,4',6'-trimethoxychalcone
Structure
Formula	C18H18O5
InchiKey	CGIBCVBDFUTMPT-RMKNXTFCSA-N
SMILES	COC1=CC=C(\C=C\C(=O)C2=C(O)C=C(OC)C=C2OC)C=C1
Inchi	InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+
IUPAC	(2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular Weight	314.33
Pubchem Id	5355469
Chembl Id	CHEMBL243829

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	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	5830	-	-
reviewed	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	3000	-	-

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-9	%
Q13627	BXGT013385	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	reviewed	Kinase	DYRK1A	Inhibition	'='	90	%
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	-	-	-
Q00987	BXGT012559	E3 ubiquitin-protein ligase Mdm2	reviewed	Nucleic acid binding	MDM2	Inhibition	-	-	-
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Inhibition	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-6	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	-	-	-
Q96GD4	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	Inhibition	'='	84	%
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	3000	nM
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	5830	nM
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	Inhibition	-	-	-
Q8IW41	BXGT018352	MAP kinase-activated protein kinase 5	reviewed	Kinase	MAPKAPK5	Inhibition	'='	91	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00822	Beverages		Beverages
BXGF04178	Piper methysticum	Piper methysticum	Medicinal Plant
BXGF04958	Gnaphalium affine	Gnaphalium affine	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}