acompound

Showing entry for octopaminium

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018580
Compound Name	octopaminium
Structure
Formula	C8H11NO2
InchiKey	QHGUCRYDKWKLMG-UHFFFAOYSA-O
SMILES	[NH3+]CC(c1ccc(cc1)O)O
Inchi	InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1
IUPAC	4-(2-amino-1-hydroxyethyl)phenol;hydron
Molecular Weight	154.09
Pubchem Id	21680226
Chembl Id

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	BXGT010360	Alpha-1A adrenergic receptor	reviewed		Adra1a	1560	-	-	-
reviewed	BXGT010360	Alpha-1A adrenergic receptor	reviewed		Adra1a	11000	-	-	-
reviewed	BXGT009621	5-hydroxytryptamine receptor 7	reviewed		Htr7	1000	-	-	-
reviewed	BXGT010507	5-hydroxytryptamine receptor 3A	reviewed	Ion channel	HTR3A	-	-	-	24

CHEMBL

n.a

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05819	Citrus aurantium	Citrus aurantium	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}