acompound

Showing entry for 2-(4-Hydroxy-3-Methoxyphenyl)-5-(3-Hydroxypropyl)-7-Methoxy-1-Benzofuran-3-Carbaldehyde

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0024313
Compound Name	2-(4-Hydroxy-3-Methoxyphenyl)-5-(3-Hydroxypropyl)-7-Methoxy-1-Benzofuran-3-Carbaldehyde
Structure
Formula	C20H20O6
InchiKey	PHJUPBDWRVMJQA-UHFFFAOYSA-N
SMILES	OCCCc1cc(OC)c2c(c1)c(C=O)c(o2)c1ccc(c(c1)OC)O
Inchi	InChI=1S/C20H20O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-11,21,23H,3-4,7H2,1-2H3
IUPAC	2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-1-benzofuran-3-carbaldehyde
Molecular Weight	356.13
Pubchem Id	6709746
Chembl Id	CHEMBL42639

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	BXGT009016	Adenosine receptor A1	reviewed		Adora1	17000	-	-	-
reviewed	BXGT009016	Adenosine receptor A1	reviewed		Adora1	-	17	-	-
reviewed	BXGT009236	Adenosine receptor A1	reviewed		ADORA1	-	17	-	-

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
P28190	BXGT009236	Adenosine receptor A1	reviewed	-	ADORA1	IC50	'='	17	nM
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	Ki	'='	17000	nM
P25099	BXGT009016	Adenosine receptor A1	reviewed	-	Adora1	IC50	'='	17	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	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}