acompound

Showing entry for 3-[2-(1,3-Benzodioxol-5-Yl)Ethyl]-5-Methoxyphenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048684
Compound Name	3-[2-(1,3-Benzodioxol-5-Yl)Ethyl]-5-Methoxyphenol
Structure
Formula	C16H16O4
InchiKey	WXLWYVQONUUBMT-UHFFFAOYSA-N
SMILES	COc1cc(CCc2ccc3c(c2)OCO3)cc(c1)O
Inchi	InChI=1S/C16H16O4/c1-18-14-7-12(6-13(17)9-14)3-2-11-4-5-15-16(8-11)20-10-19-15/h4-9,17H,2-3,10H2,1H3
IUPAC	3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxyphenol
Molecular Weight	272.1
Pubchem Id	637412
Chembl Id	CHEMBL1796012

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	BXGT007520	Calmodulin-1	reviewed		CALM1	-	31290	-	-
reviewed	BXGT024595	Calmodulin-3	reviewed		CALM3	-	31290	-	-
reviewed	BXGT007521	Calmodulin-2	reviewed		CALM2	-	31290	-	-

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
P0DP23	BXGT007520	Calmodulin-1	reviewed	-	CALM1	IC50	'='	31290	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04857	Dendrobium densiflorum	Dendrobium densiflorum	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}