acompound

Showing entry for Sesamol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005735
Compound Name	Sesamol
Structure
Formula	C7H6O3
InchiKey	LUSZGTFNYDARNI-UHFFFAOYSA-N
SMILES	OC1=CC2=C(OCO2)C=C1
Inchi	InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
IUPAC	2H-1,3-benzodioxol-5-ol
Molecular Weight	138.12
Pubchem Id	68289
Chembl Id	CHEMBL1517998

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

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
Q72498	BXGT016708	POL polyprotein	unreviewed	pol	-	-	-	5500000	-

Binding DB

n.a

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

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
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	35481	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Potency	-	15848	nM
P78380	BXGT011841	Oxidized low-density lipoprotein receptor 1	reviewed	-	OLR1	Inhibition	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	15848	nM
P53778	BXGT011013	Mitogen-activated protein kinase 12	reviewed	Kinase	MAPK12	Inhibition	-	-	-
Q16539	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	Inhibition	-	-	-
Q15759	BXGT013595	Mitogen-activated protein kinase 11	reviewed	Kinase	MAPK11	Inhibition	-	-	-
O15264	BXGT004144	Mitogen-activated protein kinase 13	reviewed	Kinase	MAPK13	Inhibition	-	-	-
P29474	BXGT009352	Nitric oxide synthase, endothelial	reviewed	-	NOS3	Activity	-	-	-
Q76353	BXGT016849	Integrase	unreviewed	-		Kd	'='	5500000	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	5011	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00170	Sesame	Sesamum orientale	Herbs and Spices
BXGF00816	Fats and oils		Fats and oils
BXGF01241	Eleutherococcus sessiliflorus	Eleutherococcus sessiliflorus	Medicinal Plant
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF01709	Hyptis tomentosa	Hyptis tomentosa	Medicinal Plant
BXGF03392	Paulownia tomentosa	Paulownia tomentosa	Medicinal Plant
BXGF03892	Sesamum indicum	Sesamum indicum	0
BXGF04193	Piper longum	Piper longum	Medicinal Plant
BXGF05627	Asarum sieboldii	Asarum sieboldii	Medicinal Plant
BXGF06036	Eleutherococcus gracilistylus	Eleutherococcus gracilistylus	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}