acompound

Showing entry for (R)-Octopamine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004764
Compound Name	(R)-Octopamine
Structure
Formula	C8H11NO2
InchiKey	QHGUCRYDKWKLMG-QMMMGPOBSA-N
SMILES	NC[C@H](O)C1=CC=C(O)C=C1
Inchi	InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1
IUPAC	4-[(1R)-2-amino-1-hydroxyethyl]phenol
Molecular Weight	153.18
Pubchem Id	440266
Chembl Id	CHEMBL1160703

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

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	TDP1	Enzyme	-	-	-	-
P11086	BXGT007652	Phenylethanolamine N-methyltransferase	reviewed	PNMT	Enzyme	-	-	-	-
A0A452E9Y6	BXGT022685	Lactoperoxidase	reviewed	LPO	-	-	-	-	-

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
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	Potency	'='	12589	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	15848	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	Potency	'='	1258	nM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Potency	'='	5011	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	12589	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	17782	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	14091	nM

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
BXGF00811	Citrus		Fruits
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00820	Mollusks		Aquatic foods
BXGF00823	Fruits		Fruits
BXGF00824	Green vegetables		Vegetables
BXGF00825	Root vegetables		Vegetables
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}