acompound

Showing entry for (2Z,4Z)-5-(1,3-Benzodioxol-5-Yl)-1-Piperidin-1-Ylpenta-2,4-Dien-1-One

General Compound Information
BXGC Id	BXGC0034077
Compound Name	(2Z,4Z)-5-(1,3-Benzodioxol-5-Yl)-1-Piperidin-1-Ylpenta-2,4-Dien-1-One
Structure
Formula	C17H19NO3
InchiKey	MXXWOMGUGJBKIW-PORYWJCVSA-N
SMILES	O=C(N1CCCCC1)/C=C\C=C/c1ccc2c(c1)OCO2
Inchi	InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2-,7-3-
IUPAC	(2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Molecular Weight	285.14
Pubchem Id	1548912
Chembl Id	CHEMBL1395862

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

CHEMBL1395862

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
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	10000	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	79	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	'='	12589	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	3981	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	12589	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	'='	12589	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	10000	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	12589	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	1412	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	14125	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	15848	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	12589	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	'='	3162	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	10000	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	31622	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	'='	3981	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	11220	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	631	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF00943	Brickellia longifolia	Brickellia longifolia	Others
BXGF00976	Verbesina virginica	Verbesina virginica	Others
BXGF01072	Dichotomanthes tristaniicarpa	Dichotomanthes tristaniicarpa	Others
BXGF01165	Cochlearia officinalis	Cochlearia officinalis	Medicinal Plant
BXGF01368	Frullania brasiliensis	Frullania brasiliensis	Medicinal Plant
BXGF01396	Bupleurum rigidum	Bupleurum rigidum	Medicinal Plant
BXGF01531	Abies webbiana	Abies webbiana	Medicinal Plant
BXGF03575	Palisota barteri	Palisota barteri	Others
BXGF03737	Matsumurella chinensis	Matsumurella chinensis	Others
BXGF04193	Piper longum	Piper longum	Medicinal Plant
BXGF04326	Piper betle	Piper betle	Medicinal Plant
BXGF04427	Silene banksia	Silene banksia	Others
BXGF04642	Podocarpus minor	Podocarpus minor	Others
BXGF05189	Dracontium loretense	Dracontium loretense	Others
BXGF05648	Euphorbia wangii	Euphorbia wangii	Others
BXGF05671	Carpesium longifolium	Carpesium longifolium	Medicinal Plant
BXGF05694	Piper retrofractum	Piper retrofractum	Medicinal Plant
BXGF05741	Crocus corsicus	Crocus corsicus	Others
BXGF05792	Schefflera venulosa	Schefflera venulosa	Medicinal Plant
BXGF06264	Homalium laurifolium	Homalium laurifolium	Others
BXGF06316	Coelogyne nitida	Coelogyne nitida	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}