acompound

Showing entry for Jatrorrhizine Chloride

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025690
Compound Name	Jatrorrhizine Chloride
Structure
Formula	C20H19NO4.ClH
InchiKey	JKMUUZMCSNHBAX-UHFFFAOYSA-N
SMILES	COC1=CC2=c3cc4ccc(c(c4cn3CCC2=CC1=O)OC)OC.Cl
Inchi	InChI=1S/C20H19NO4.ClH/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3;/h4-5,8-11H,6-7H2,1-3H3;1H
IUPAC	2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one;hydrochloride
Molecular Weight	337.13
Pubchem Id	371256
Chembl Id	CHEMBL274346

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

n.a

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

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'='	71	ug.mL-1
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	Kb	'='	1	10'3L/mol
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	52	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	71	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01696	Coptis japonica	Coptis japonica	Medicinal Plant
BXGF03498	Coptis deltoidea	Coptis deltoidea	Medicinal Plant
BXGF04784	Coptis teeta	Coptis teeta	Medicinal Plant
BXGF05506	Coptis chinensis	Coptis chinensis	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}