acompound

Showing entry for 5-O-Methylembelin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032327
Compound Name	5-O-Methylembelin
Structure
Formula	C18H28O4
InchiKey	KHBJLRRAMCJZLZ-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC
Inchi	InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
IUPAC	2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione
Molecular Weight	308.2
Pubchem Id	171489
Chembl Id	CHEMBL471270

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	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	-	680	-	-
reviewed	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	-	3800	-	-
reviewed	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	-	1300	-	-
reviewed	BXGT014131	Macrophage-expressed gene 1 protein	reviewed		MPEG1	-	9100	-	-

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
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	'='	680	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Activity	'='	131	%
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	'='	3800	nM
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	'='	1300	nM
Q2M385	BXGT014131	Macrophage-expressed gene 1 protein	reviewed	-	MPEG1	IC50	'='	9100	nM
P18054	BXGT008370	Arachidonate 12-lipoxygenase, 12S-type	reviewed	Enzyme	ALOX12	Activity	'='	138	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02109	Embelia ribes	Embelia ribes	Medicinal Plant
BXGF02402	Aegiceras corniculatum	Aegiceras corniculatum	Medicinal Plant
BXGF03027	Embelia schimperi	Embelia schimperi	Medicinal Plant
BXGF03698	Myrsine africana	Myrsine africana	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}