acompound

Showing entry for Morachalcone A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0011160
Compound Name	Morachalcone A
Structure
Formula	C20H20O5
InchiKey	NXBYIJSAISXPKJ-WEVVVXLNSA-N
SMILES	CC(C)=CCC1=C(O)C=CC(C(=O)\C=C\C2=C(O)C=C(O)C=C2)=C1O
Inchi	InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
IUPAC	(2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
Molecular Weight	340.37
Pubchem Id	9862769
Chembl Id	CHEMBL465880

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	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	4600	-	-
reviewed	BXGT005592	Pancreatic triacylglycerol lipase	reviewed		PNLIP	-	6200	-	-

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
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	4600	nM
Q60795	BXGT016000	Nuclear factor erythroid 2-related factor 2	reviewed	-	Nfe2l2	FC	'='	1	-
P00591	BXGT005592	Pancreatic triacylglycerol lipase	reviewed	-	PNLIP	IC50	'='	6200	nM
P00591	BXGT005592	Pancreatic triacylglycerol lipase	reviewed	-	PNLIP	Inhibition	'='	73	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00285	Breadfruit	Artocarpus altilis	Fruits
BXGF00823	Fruits		Fruits
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02214	Morus bombycis	Morus bombycis	Medicinal Plant
BXGF02527	Nicotiana tabacum	Nicotiana tabacum	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05056	Artocarpus communis	Artocarpus communis	Others
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	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}