acompound

Showing entry for Malabaricone B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025827
Compound Name	Malabaricone B
Structure
Formula	C21H26O4
InchiKey	KOAPDMKKECXPHX-UHFFFAOYSA-N
SMILES	Oc1ccc(cc1)CCCCCCCCC(=O)c1c(O)cccc1O
Inchi	InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2
IUPAC	1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one
Molecular Weight	342.18
Pubchem Id	163001
Chembl Id	CHEMBL489354

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	-	1840	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	4330	-	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	560	-	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	1760	-	-

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
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	1840	nM
P62575	BXGT011435	Sialidase A	reviewed	-	nanA	Inhibition	-	-	-
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	IC50	'='	40340	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	87	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Ki	'='	560	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	'='	95	%
P62575	BXGT011435	Sialidase A	reviewed	-	nanA	IC50	'='	400	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	1760	nM
P00690	BXGT005612	Pancreatic alpha-amylase	reviewed	-	AMY2	IC50	'='	12890	nM
P62575	BXGT011435	Sialidase A	reviewed	-	nanA	Ki	'='	500	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'='	4330	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00118	Nutmeg	Myristica fragrans	Herbs and Spices
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}