acompound

Showing entry for Columbamine

General Compound Information
BXGC Id	BXGC0026589
Compound Name	Columbamine
Structure
Formula	C20H19NO4
InchiKey	YYFOFDHQVIODOQ-UHFFFAOYSA-O
SMILES	COc1cc2CC[n+]3c(c2cc1O)cc1c(c3)c(OC)c(cc1)OC
Inchi	InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
IUPAC	3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Molecular Weight	338.14
Pubchem Id	72310
Chembl Id	CHEMBL400345

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

50226664

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	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	30600	-	-

CHEMBL

CHEMBL400345

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	IC50	'='	30600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00446	Sugar apple	Annona squamosa	Fruits
BXGF00850	Tinospora capillipes	Tinospora capillipes	Others
BXGF00951	Chrysanthemum myconis	Chrysanthemum myconis	Others
BXGF01106	Euphorbia fortissima	Euphorbia fortissima	Medicinal Plant
BXGF01328	Theobroma speciosum	Theobroma speciosum	Medicinal Plant
BXGF01660	Thalictrum foliolosum	Thalictrum foliolosum	Medicinal Plant
BXGF01696	Coptis japonica	Coptis japonica	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF01820	Androsace septentrionalis	Androsace septentrionalis	Others
BXGF01838	Dunaliella salina	Dunaliella salina	Human Edible Plant
BXGF02151	Isodon wikstroemioides	Isodon wikstroemioides	Others
BXGF02185	Calocephalus knappii	Calocephalus knappii	Others
BXGF02273	Trifolium dubium	Trifolium dubium	Medicinal Plant
BXGF02655	Berberis amurensis	Berberis amurensis	Medicinal Plant
BXGF02765	Berberis thunbergii	Berberis thunbergii	Medicinal Plant
BXGF03130	Panax quinquefolius	Panax quinquefolius	Medicinal Plant
BXGF03280	Pilosocereus chrysacanthus	Pilosocereus chrysacanthus	Human Edible Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03498	Coptis deltoidea	Coptis deltoidea	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04038	Plectranthus ernstii	Plectranthus ernstii	Others
BXGF04085	Paratinospora sagittata	Paratinospora sagittata	Others
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04498	Cussonia racemosa	Cussonia racemosa	Others
BXGF04784	Coptis teeta	Coptis teeta	Medicinal Plant
BXGF05405	Berberis japonica	Berberis japonica	Others
BXGF05506	Coptis chinensis	Coptis chinensis	Medicinal Plant
BXGF05617	Astragalus trojanus	Astragalus trojanus	Medicinal Plant
BXGF05841	Aloe saponaria	Aloe saponaria	Medicinal Plant
BXGF05957	Artocarpus incisa	Artocarpus incisa	Medicinal Plant
BXGF05982	Ligularia nelumbifolia	Ligularia nelumbifolia	Medicinal Plant
BXGF05994	Corydalis yanhusuo	Corydalis yanhusuo	Medicinal Plant
BXGF06057	Berberis oblonga	Berberis oblonga	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}