acompound

Showing entry for (1'r,2'r)-4-O-Methylguaiacyl Glycerol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017292
Compound Name	(1'r,2'r)-4-O-Methylguaiacyl Glycerol
Structure
Formula	C11H16O5
InchiKey	NHELEQGRSPWRNT-LDYMZIIASA-N
SMILES	OC[C@H]([C@@H](c1ccc(c(c1)OC)OC)O)O
Inchi	InChI=1S/C11H16O5/c1-15-9-4-3-7(5-10(9)16-2)11(14)8(13)6-12/h3-5,8,11-14H,6H2,1-2H3/t8-,11-/m1/s1
IUPAC	(1R,2R)-1-(3,4-dimethoxyphenyl)propane-1,2,3-triol
Molecular Weight	228.1
Pubchem Id	11042473
Chembl Id	CHEMBL2011543

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	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	-	-	-	15700
reviewed	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	-	-	-	19300
reviewed	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	-	-	-	22600

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
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	Activity	-	-	-
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	EC50	'='	22600	nM
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	EC50	'='	15700	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	EC50	'='	19300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05627	Asarum sieboldii	Asarum sieboldii	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}