acompound

Showing entry for 2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0020750
Compound Name	2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline
Structure
Formula	C21H25NO4
InchiKey	AEQDJSLRWYMAQI-UHFFFAOYSA-N
SMILES	COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC
Inchi	InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
IUPAC	2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Molecular Weight	355.18
Pubchem Id	5417
Chembl Id	CHEMBL187892

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	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed		SIGMAR1	2.5	-	-	-
reviewed	BXGT007950	Tissue factor	reviewed	Receptor	F3	-	15	-	-

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	31622	nM
P13726	BXGT007950	Tissue factor	reviewed	Receptor	F3	IC50	'='	14	nM
Q99720	BXGT019955	Sigma non-opioid intracellular receptor 1	reviewed	-	SIGMAR1	Ki	'='	2	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	8199	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01549	Sinomenium acutum	Sinomenium acutum	Medicinal Plant
BXGF01696	Coptis japonica	Coptis japonica	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF01752	Corydalis decumbens	Corydalis decumbens	Medicinal Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03498	Coptis deltoidea	Coptis deltoidea	Medicinal Plant
BXGF03640	Fibraurea recisa	Fibraurea recisa	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04632	Corydalis pallida	Corydalis pallida	Medicinal Plant
BXGF04716	Corydalis remota	Corydalis remota	Others
BXGF04784	Coptis teeta	Coptis teeta	Medicinal Plant
BXGF05506	Coptis chinensis	Coptis chinensis	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	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}