acompound

Showing entry for Homoaromoline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036175
Compound Name	Homoaromoline
Structure
Formula	C37H40N2O6
InchiKey	YJRWQNIRFXVBRB-WDYNHAJCSA-N
SMILES	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1O)OC)C
Inchi	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
IUPAC
Molecular Weight	608.29
Pubchem Id	99620
Chembl Id	CHEMBL509855

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	BXGT010083	Trypanothione reductase	reviewed		TPR	-	55000	-	-
reviewed	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	-	10900	-	-

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
P23977	BXGT008936	Sodium-dependent dopamine transporter	reviewed	-	Slc6a3	IC50	'='	10900	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03159	Coleonema pulchellum	Coleonema pulchellum	Others
BXGF03382	Tamarix chinensis	Tamarix chinensis	Medicinal Plant
BXGF03974	Stephania epigaea	Stephania epigaea	Others
BXGF04347	Stephania erecta	Stephania erecta	Others
BXGF04371	Citrus yuko	Citrus yuko	Others
BXGF04665	Magnolia ovata	Magnolia ovata	Others
BXGF04941	Thalictrum thunbergii	Thalictrum thunbergii	Medicinal Plant
BXGF05001	Stephania cepharantha	Stephania cepharantha	Medicinal Plant
BXGF05163	Cyclea barbata	Cyclea barbata	Medicinal Plant
BXGF05470	Thalictrum lucidum	Thalictrum lucidum	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}