acompound

Showing entry for 14-(S)-2-Hydroxyl-3,9,10-Trimethoxytetrahyrdooxyprotoberberine

General Compound Information
BXGC Id	BXGC0047439
Compound Name	14-(S)-2-Hydroxyl-3,9,10-Trimethoxytetrahyrdooxyprotoberberine
Structure
Formula	C20H23NO4
InchiKey	KDFKJOFJHSVROC-INIZCTEOSA-N
SMILES	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)OC
Inchi	InChI=1S/C20H23NO4/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/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
IUPAC	(13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
Molecular Weight	341.16
Pubchem Id	440229
Chembl Id	CHEMBL2334891

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

H68

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
I3V6A7	BXGT024267	Scoulerine-9-O-methyltransferase 1 (PsSOMT1)	reviewed	SOMT1	-	-	-	-	-

Binding DB

50429057

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	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	91	-	-	-
reviewed	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	4.5	-	-	-

CHEMBL

CHEMBL2334891

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
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Ki	'='	6	nM
P35462	BXGT009835	D(3) dopamine receptor	reviewed	G-protein coupled receptor	DRD3	Ki	'='	37	nM
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Ki	-	-	-
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Ki	'='	4	nM
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Inhibition	'='	71	%
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Ki	-	-	-
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Inhibition	'='	40	%
P21917	BXGT008707	D(4) dopamine receptor	reviewed	G-protein coupled receptor	DRD4	Ki	'='	77	nM
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Ki	'='	91	nM
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Inhibition	'='	99	%
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Inhibition	'='	90	%
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Ki	'='	41	nM
P21918	BXGT008708	D(1B) dopamine receptor	reviewed	G-protein coupled receptor	DRD5	Ki	'='	9	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00402	Opium poppy	Papaver somniferum	Herbs and Spices
BXGF00990	Hydrastis canadensis	Hydrastis canadensis	Medicinal Plant
BXGF01052	Artabotrys maingayi	Artabotrys maingayi	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF01752	Corydalis decumbens	Corydalis decumbens	Medicinal Plant
BXGF01767	Uncaria rhynchophylla	Uncaria rhynchophylla	Medicinal Plant
BXGF02254	Thuja plicata	Thuja plicata	Medicinal Plant
BXGF03037	Corydalis cava	Corydalis cava	Medicinal Plant
BXGF03464	Senna spectabilis	Senna spectabilis	Medicinal Plant
BXGF03612	Symphytum officinale	Symphytum officinale	Medicinal Plant
BXGF03640	Fibraurea recisa	Fibraurea recisa	Medicinal Plant
BXGF03764	Psacalium peltatum	Psacalium peltatum	Medicinal Plant
BXGF03830	Diospyros ebenum	Diospyros ebenum	Medicinal Plant
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03971	Corydalis ophiocarpa	Corydalis ophiocarpa	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04055	Teclea sudanica	Teclea sudanica	Others
BXGF04063	Mezzettia leptopoda	Mezzettia leptopoda	Others
BXGF04119	Stachys plumosa	Stachys plumosa	Others
BXGF04178	Piper methysticum	Piper methysticum	Medicinal Plant
BXGF04190	Lappula echinata	Lappula echinata	Medicinal Plant
BXGF04237	Ligularia sagitta	Ligularia sagitta	Medicinal Plant
BXGF04806	Ulex airensis	Ulex airensis	Others
BXGF04912	Corydalis rhizoma	Corydalis rhizoma	Others
BXGF05074	Chaetomorpha moniligera	Chaetomorpha moniligera	Others
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}