acompound

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

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0047185
Compound Name	(S)-3-Hydroxyl-2,9,10-Trimethoxytetrahyrdooxyprotoberberine
Structure
Formula	C20H23NO4
InchiKey	BMCZTYDZHNTKPR-INIZCTEOSA-N
SMILES	COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc(c(c3)O)OC
Inchi	InChI=1S/C20H23NO4/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/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
IUPAC	(13aS)-2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
Molecular Weight	341.16
Pubchem Id	11186895
Chembl Id	CHEMBL2334885

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	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	310	-	-	-

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
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Ki	-	-	-
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Inhibition	'='	63	%
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Ki	-	-	-
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	Inhibition	'='	84	%
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Inhibition	'='	50	%
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Ki	'='	310	nM
P21918	BXGT008708	D(1B) dopamine receptor	reviewed	G-protein coupled receptor	DRD5	Ki	'='	313	nM
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Inhibition	'='	38	%
P35462	BXGT009835	D(3) dopamine receptor	reviewed	G-protein coupled receptor	DRD3	Ki	'='	262	nM
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Ki	'='	42	nM
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Ki	'='	199	nM
P21917	BXGT008707	D(4) dopamine receptor	reviewed	G-protein coupled receptor	DRD4	Ki	'>'	1000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01723	Erythrophleum suaveolens	Erythrophleum suaveolens	Medicinal Plant
BXGF01731	Corydalis turtschaninovii	Corydalis turtschaninovii	Human Edible Plant
BXGF02455	Cyperus nipponicus	Cyperus nipponicus	Others
BXGF02986	Dendrobium amplum	Dendrobium amplum	Others
BXGF03013	Dalbergia spruceana	Dalbergia spruceana	Medicinal Plant
BXGF03333	Nuxia sphaerocephala	Nuxia sphaerocephala	Medicinal Plant
BXGF03538	Notholaena schaffneri	Notholaena schaffneri	Others
BXGF03578	Horsfieldia glabra	Horsfieldia glabra	Medicinal Plant
BXGF03640	Fibraurea recisa	Fibraurea recisa	Medicinal Plant
BXGF04006	Corydalis ternata	Corydalis ternata	Others
BXGF04508	Eupatorium glandulosum	Eupatorium glandulosum	Medicinal Plant
BXGF04568	Sideritis ferrensis	Sideritis ferrensis	Others
BXGF04599	Radula voluta	Radula voluta	Others
BXGF04707	Euphorbia broteri	Euphorbia broteri	Others
BXGF04714	Zamia spiralis	Zamia spiralis	Others
BXGF05694	Piper retrofractum	Piper retrofractum	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}