acompound

Showing entry for (2E,4Z,8E)-1-Piperidino-9-(1,3-benzodioxole-5-yl)-2,4,8-nonatriene-1-one

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0033457
Compound Name	(2E,4Z,8E)-1-Piperidino-9-(1,3-benzodioxole-5-yl)-2,4,8-nonatriene-1-one
Structure
Formula	C21H25NO3
InchiKey	KAYVDASZRFLFRZ-FENSLTRZSA-N
SMILES	O=C(N1CCCCC1)/C=C/C=C\CC/C=C/c1ccc2c(c1)OCO2
Inchi	InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2-,10-6+,11-7+
IUPAC	(2E,4Z,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
Molecular Weight	339.18
Pubchem Id	16098225
Chembl Id	CHEMBL525259

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
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	92	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	58	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Inhibition	'='	13	%
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Activity	-	-	-
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	IC50	'='	10	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04193	Piper longum	Piper longum	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}