acompound

Showing entry for Malabaricone A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0024657
Compound Name	Malabaricone A
Structure
Formula	C21H26O3
InchiKey	IAXIHKJASWPASP-UHFFFAOYSA-N
SMILES	O=C(c1c(O)cccc1O)CCCCCCCCc1ccccc1
Inchi	InChI=1S/C21H26O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16,23-24H,1-4,6,9,11,14H2
IUPAC	1-(2,6-dihydroxyphenyl)-9-phenylnonan-1-one
Molecular Weight	326.19
Pubchem Id	324062
Chembl Id	CHEMBL1254269

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	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	1310	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	39210	-	-

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	'='	69	%
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	1310	nM
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	IC50	'='	19280	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	'='	97	%
P00690	BXGT005612	Pancreatic alpha-amylase	reviewed	-	AMY2	IC50	'='	19070	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	39210	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01846	Klasea sogdiana	Klasea sogdiana	Others
BXGF05991	Asclepias vestita	Asclepias vestita	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}