acompound

Showing entry for Isotetrandrine

General Compound Information
BXGC Id	BXGC0013581
Compound Name	Isotetrandrine
Structure
Formula	C38H42N2O6
InchiKey	WVTKBKWTSCPRNU-IHLOFXLRSA-N
SMILES	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C
Inchi	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1
IUPAC
Molecular Weight	622.3
Pubchem Id	5351212
Chembl Id	CHEMBL504757

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

50292468

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	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	-	4200	-	-

CHEMBL

CHEMBL504757

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	21	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-1	%
P23977	BXGT008936	Sodium-dependent dopamine transporter	reviewed	-	Slc6a3	IC50	'='	4200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF01236	Anaxagorea luzonensis	Anaxagorea luzonensis	Medicinal Plant
BXGF01326	Argyreia nervosa	Argyreia nervosa	Medicinal Plant
BXGF01377	Erythrina chiriquensis	Erythrina chiriquensis	Others
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01476	Stephania tetrandra	Stephania tetrandra	Medicinal Plant
BXGF01585	Thalictrum atriplex	Thalictrum atriplex	Others
BXGF01660	Thalictrum foliolosum	Thalictrum foliolosum	Medicinal Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF02022	Croton regelianus	Croton regelianus	Others
BXGF02132	Thalictrum glandulosissimum	Thalictrum glandulosissimum	Others
BXGF02301	Thalictrum petaloideum	Thalictrum petaloideum	Others
BXGF02765	Berberis thunbergii	Berberis thunbergii	Medicinal Plant
BXGF03201	Thalictrum minus var. hypoleucum	Thalictrum minus var. hypoleucum	Human Edible Plant
BXGF03263	Thalictrum faberi	Thalictrum faberi	Others
BXGF03267	Thalictrum simplex	Thalictrum simplex	Medicinal Plant
BXGF03456	Phelipanche arenaria	Phelipanche arenaria	Others
BXGF04090	Thalictrum microgynum	Thalictrum microgynum	Medicinal Plant
BXGF04334	Carapichea ipecacuanha	Carapichea ipecacuanha	Medicinal Plant
BXGF04560	Lathyrus aphaca	Lathyrus aphaca	Medicinal Plant
BXGF04941	Thalictrum thunbergii	Thalictrum thunbergii	Medicinal Plant
BXGF05001	Stephania cepharantha	Stephania cepharantha	Medicinal Plant
BXGF05007	Melianthus major	Melianthus major	Medicinal Plant
BXGF05163	Cyclea barbata	Cyclea barbata	Medicinal Plant
BXGF05405	Berberis japonica	Berberis japonica	Others
BXGF05533	Acronychia muelleri	Acronychia muelleri	Others
BXGF05860	Phoradendron reichenbachianum	Phoradendron reichenbachianum	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}