Showing entry for Canadine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0028612
Compound NameCanadine
Structure
FormulaC20H21NO4
InchiKeyVZTUIEROBZXUFA-INIZCTEOSA-N
SMILESCOc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc1c(c3)OCO1
InchiInChI=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-/m0/s1
IUPAC
Molecular Weight339.15
Pubchem Id21171
Chembl IdCHEMBL490533
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 50429047
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 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A - 5400 - -
reviewed BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A >5000 - - -
reviewed BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 66 - - -
reviewed BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 119 - - -
CHEMBL CHEMBL490533
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
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Ki - - -
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Ki '=' 433 nM
P21917 BXGT008707 D(4) dopamine receptor reviewed G-protein coupled receptor DRD4 Ki '=' 486 nM
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Ki '>' 5000 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '=' 119 nM
Q09428 BXGT013036 ATP-binding cassette sub-family C member 8 reviewed Transporter ABCC8 Activity - - -
Q14654 BXGT013495 ATP-sensitive inward rectifier potassium channel 11 reviewed Ion channel KCNJ11 Activity - - -
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Ki '=' 80 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 48 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Inhibition '=' 98 %
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Inhibition '=' 84 %
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Ki '=' 66 nM
P14416 BXGT008011 D(2) dopamine receptor reviewed G-protein coupled receptor DRD2 Inhibition '=' 88 %
P21918 BXGT008708 D(1B) dopamine receptor reviewed G-protein coupled receptor DRD5 Ki '=' 62 nM
P28223 BXGT009239 5-hydroxytryptamine receptor 2A reviewed G-protein coupled receptor HTR2A Inhibition '=' 46 %
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A IC50 '=' 5400 nM
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
BXGF01731 Corydalis turtschaninovii Corydalis turtschaninovii Human Edible Plant
BXGF02254 Thuja plicata Thuja plicata Medicinal Plant
BXGF03254 Zanthoxylum integrifoliolum Zanthoxylum integrifoliolum 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
BXGF04761 Corydalis tuberosa Corydalis tuberosa Medicinal Plant
BXGF04806 Ulex airensis Ulex airensis Others
BXGF04808 Dovyalis hebecarpa Dovyalis hebecarpa Human Edible Plant
BXGF04841 Lycopodium chinense Lycopodium chinense Others
BXGF04852 Ixeris repens Ixeris repens Medicinal Plant
BXGF04883 Eremophila oppositifolia Eremophila oppositifolia Others
BXGF04894 Taxillus yadoriki Taxillus yadoriki 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