acompound

Showing entry for Tetrahydropalmatrubine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0037232
Compound Name	Tetrahydropalmatrubine
Structure
Formula	C20H23NO4
InchiKey	DKBYSDUFSXFXMP-INIZCTEOSA-N
SMILES	COc1cc2CCN3[C@H](c2cc1OC)Cc1c(C3)c(O)c(cc1)OC
Inchi	InChI=1S/C20H23NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
IUPAC	(13aS)-2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-ol
Molecular Weight	341.16
Pubchem Id	11282465
Chembl Id	CHEMBL522746

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	443	-	-	-

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	Inhibition	'='	25	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'>'	200	ug.mL-1
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Inhibition	'='	30	%
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Ki	-	-	-
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Ki	-	-	-
P14416	BXGT008011	D(2) dopamine receptor	reviewed	G-protein coupled receptor	DRD2	Inhibition	'='	22	%
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Ki	'='	443	nM
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Inhibition	'='	87	%
P08908	BXGT006837	5-hydroxytryptamine receptor 1A	reviewed	G-protein coupled receptor	HTR1A	Ki	-	-	-
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Inhibition	'='	20	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others

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}