acompound

Showing entry for roemerine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0026468
Compound Name	roemerine
Structure
Formula	C18H17NO2
InchiKey	JCTYWRARKVGOBK-AWEZNQCLSA-N
SMILES	CN1CCc2c3[C@@H]1Cc1ccccc1c3c1c(c2)OCO1
Inchi	InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m0/s1
IUPAC
Molecular Weight	279.13
Pubchem Id	800239
Chembl Id	CHEMBL2365576

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
P25100	BXGT009017	Alpha-1D adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1D	pKb	'='	7	-
P25100	BXGT009017	Alpha-1D adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1D	Kb	'='	92	nM
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	pKb	'='	6	-
P41595	BXGT010267	5-hydroxytryptamine receptor 2B	reviewed	G-protein coupled receptor	HTR2B	pKb	'='	7	-
P35348	BXGT009814	Alpha-1A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1A	Kb	'='	86	nM
P41595	BXGT010267	5-hydroxytryptamine receptor 2B	reviewed	G-protein coupled receptor	HTR2B	Kb	'='	92	nM
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	pKb	'='	7	-
P35368	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	pKb	'='	6	-
P28335	BXGT009255	5-hydroxytryptamine receptor 2C	reviewed	G-protein coupled receptor	HTR2C	pKb	'='	7	-
P28335	BXGT009255	5-hydroxytryptamine receptor 2C	reviewed	G-protein coupled receptor	HTR2C	Kb	'='	76	nM
P35368	BXGT009822	Alpha-1B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA1B	Kb	'='	154	nM
P28223	BXGT009239	5-hydroxytryptamine receptor 2A	reviewed	G-protein coupled receptor	HTR2A	Kb	'='	42	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF01237	Magnolia obovata	Magnolia obovata	Medicinal Plant
BXGF05264	Magnolia officinalis	Magnolia officinalis	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}