acompound

Showing entry for Malabaricone C

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032477
Compound Name	Malabaricone C
Structure
Formula	C21H26O5
InchiKey	HCOZRFYGIFMIEX-UHFFFAOYSA-N
SMILES	Oc1cc(CCCCCCCCC(=O)c2c(O)cccc2O)ccc1O
Inchi	InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2
IUPAC	1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one
Molecular Weight	358.18
Pubchem Id	100313
Chembl Id	CHEMBL524100

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	5860	-	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	11460	-	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	2800	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	1940	-	-

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	IC50	'='	2800	nM
P62575	BXGT011435	Sialidase A	reviewed	-	nanA	Inhibition	-	-	-
P62575	BXGT011435	Sialidase A	reviewed	-	nanA	Ki	'='	100	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	1940	nM
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	IC50	'='	14990	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	94	%
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	'='	97	%
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'='	5860	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Ki	'='	11460	nM
P62575	BXGT011435	Sialidase A	reviewed	-	nanA	IC50	'='	300	nM
P00690	BXGT005612	Pancreatic alpha-amylase	reviewed	-	AMY2	IC50	'='	10630	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
BXGF01709	Hyptis tomentosa	Hyptis tomentosa	Medicinal Plant
BXGF01846	Klasea sogdiana	Klasea sogdiana	Others
BXGF02562	Cephalonoplos segetum	Cephalonoplos segetum	Human Edible Plant
BXGF04646	Lens phaseoloides	Lens phaseoloides	Others
BXGF05294	Ipomoea cristulata	Ipomoea cristulata	Others
BXGF05363	Lophozonia menziesii	Lophozonia menziesii	Others
BXGF05443	Rhodotypos scandens	Rhodotypos scandens	Others
BXGF05527	Pancratium trianthum	Pancratium trianthum	Human Edible Plant
BXGF05589	Piper pedicellosum	Piper pedicellosum	Medicinal Plant
BXGF05808	Xanthostemon oppositifolius	Xanthostemon oppositifolius	Others
BXGF05836	Esenbeckia nesiotica	Esenbeckia nesiotica	Others
BXGF05991	Asclepias vestita	Asclepias vestita	Others
BXGF05999	Catalpa bignonioides	Catalpa bignonioides	Medicinal Plant
BXGF06045	Helipterum tenellum	Helipterum tenellum	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}