acompound

Showing entry for Tetrahydroberberine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043775
Compound Name	Tetrahydroberberine
Structure
Formula	C20H21NO4
InchiKey	VZTUIEROBZXUFA-UHFFFAOYSA-N
SMILES	COc1c(OC)ccc2c1CN1CCc3c(C1C2)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
IUPAC
Molecular Weight	339.15
Pubchem Id	34458
Chembl Id	CHEMBL275097

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	1122	-	-	-
reviewed	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	-	>50000	-	-
reviewed	BXGT007950	Tissue factor	reviewed	Receptor	F3	-	8.4	-	-

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
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	14125	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	14125	nM
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	Inhibition	'='	25	%
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	IC50	'>'	50000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	12762	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	3981	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	11374	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	20596	nM
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'>'	200	ug.mL-1
P43140	BXGT010360	Alpha-1A adrenergic receptor	reviewed	-	Adra1a	Ki	'='	1122	nM
Q962Y6	BXGT019597	Thioredoxin glutathione reductase	unreviewed	-	TGR	Potency	'='	35481	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	125892	nM
P13726	BXGT007950	Tissue factor	reviewed	Receptor	F3	IC50	'='	8	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	89125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03640	Fibraurea recisa	Fibraurea recisa	Medicinal Plant
BXGF03682	Imperata cylindrica	Imperata cylindrica	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF05103	Argemone mexicana	Argemone mexicana	Medicinal Plant
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}