acompound

Showing entry for canadine

General Compound Information
BXGC Id	BXGC0017628
Compound Name	canadine
Structure
Formula	C20H21NO4
InchiKey	VZTUIEROBZXUFA-MRXNPFEDSA-N
SMILES	COc1c(OC)ccc2c1CN1CCc3c([C@H]1C2)cc1c(c3)OCO1
Inchi	InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1
IUPAC
Molecular Weight	339.15
Pubchem Id	443422
Chembl Id	CHEMBL476501

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

50429049

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	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	>5000	-	-	-

CHEMBL

CHEMBL476501

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	'='	7943	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	50118	nM
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Inhibition	'='	18	%
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	63	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	'='	63	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	7943	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	1258	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1835	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	'='	1258	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	4466	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	22387	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	354	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	12995	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	14581	nM
Q77YF9	BXGT016886	Protein Vpr	unreviewed	-	vpr	Potency	-	25118	nM
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Ki	-	-	-
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Inhibition	'='	75	%
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Inhibition	'='	34	%
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Ki	-	-	-
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	1412	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	'='	1584	nM
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Inhibition	'='	26	%
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Ki	'>'	5000	nM
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Ki	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00990	Hydrastis canadensis	Hydrastis canadensis	Medicinal Plant
BXGF01052	Artabotrys maingayi	Artabotrys maingayi	Medicinal Plant
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01672	Zanthoxylum brachyacanthum	Zanthoxylum brachyacanthum	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF03037	Corydalis cava	Corydalis cava	Medicinal Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03464	Senna spectabilis	Senna spectabilis	Medicinal Plant
BXGF03612	Symphytum officinale	Symphytum officinale	Medicinal Plant
BXGF03640	Fibraurea recisa	Fibraurea recisa	Medicinal Plant
BXGF03764	Psacalium peltatum	Psacalium peltatum	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF03830	Diospyros ebenum	Diospyros ebenum	Medicinal Plant
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03971	Corydalis ophiocarpa	Corydalis ophiocarpa	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04055	Teclea sudanica	Teclea sudanica	Others
BXGF04063	Mezzettia leptopoda	Mezzettia leptopoda	Others
BXGF04119	Stachys plumosa	Stachys plumosa	Others
BXGF04178	Piper methysticum	Piper methysticum	Medicinal Plant
BXGF04190	Lappula echinata	Lappula echinata	Medicinal Plant
BXGF04237	Ligularia sagitta	Ligularia sagitta	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04806	Ulex airensis	Ulex airensis	Others
BXGF04912	Corydalis rhizoma	Corydalis rhizoma	Others
BXGF05074	Chaetomorpha moniligera	Chaetomorpha moniligera	Others
BXGF05994	Corydalis yanhusuo	Corydalis yanhusuo	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}