acompound

Showing entry for isonotholaenic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0033356
Compound Name	isonotholaenic acid
Structure
Formula	C17H18O5
InchiKey	GAWSNXBLUNVZCK-UHFFFAOYSA-N
SMILES	COc1ccc(cc1)CCc1cc(O)cc(c1C(=O)O)OC
Inchi	InChI=1S/C17H18O5/c1-21-14-7-4-11(5-8-14)3-6-12-9-13(18)10-15(22-2)16(12)17(19)20/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)
IUPAC	4-hydroxy-2-methoxy-6-[2-(4-methoxyphenyl)ethyl]benzoic acid
Molecular Weight	302.12
Pubchem Id	10017784
Chembl Id	CHEMBL68178

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

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
P23944	BXGT008930	Alpha-1D adrenergic receptor	reviewed	-	Adra1d	Activity	'='	34	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04451	Pteris cretica var. nervosa	Pteris cretica var. nervosa	Garden 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}