acompound

Showing entry for (E,E)-Piperlonguminine

General Compound Information
BXGC Id	BXGC0001429
Compound Name	(E,E)-Piperlonguminine
Structure
Formula	C16H19NO3
InchiKey	WHAAPCGHVWVUEX-GGWOSOGESA-N
SMILES	CC(C)C\N=C(/O)\C=C\C=C\C1=CC2=C(OCO2)C=C1
Inchi	InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+
IUPAC	(Z,2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienimidic acid
Molecular Weight	273.33
Pubchem Id	5320621
Chembl Id	CHEMBL253973

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

50415873

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	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	-	-	-	6.31

CHEMBL

CHEMBL253973

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
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	FC	'='	2	-
Q9UBN7	BXGT021658	Histone deacetylase 6	reviewed	Epigenetic regulator	HDAC6	Inhibition	'<'	50	%
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	MEC	'='	25	ug ml-1
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	PF	'='	60	-
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	Emax	'='	94	%
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	logPF	'='	1	-
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	EC50	'='	6	nM
Q13547	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	Inhibition	-	-	-
O15379	BXGT004159	Histone deacetylase 3	reviewed	Epigenetic regulator	HDAC3	Inhibition	-	-	-
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	MIC	'>'	100	ug.mL-1
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	18348	nM
P38398	BXGT010037	Breast cancer type 1 susceptibility protein	reviewed	Enzyme	BRCA1	Potency	-	17782	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	25929	nM
P0A0J7	BXGT006970	Quinolone resistance protein NorA	reviewed	-	norA	FC	'='	0	-
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	8912	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	23109	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
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00943	Brickellia longifolia	Brickellia longifolia	Others
BXGF00976	Verbesina virginica	Verbesina virginica	Others
BXGF01044	Bellardia viscosa	Bellardia viscosa	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
BXGF02461	Kopsia lapidilecta	Kopsia lapidilecta	Others
BXGF02492	Dryopteris arguta	Dryopteris arguta	Human Edible Plant
BXGF02771	Plenckia populnea	Plenckia populnea	Others
BXGF03507	Pinus aristata	Pinus aristata	Medicinal Plant
BXGF03575	Palisota barteri	Palisota barteri	Others
BXGF03737	Matsumurella chinensis	Matsumurella chinensis	Others
BXGF04193	Piper longum	Piper longum	Medicinal Plant
BXGF04427	Silene banksia	Silene banksia	Others
BXGF04642	Podocarpus minor	Podocarpus minor	Others
BXGF04766	Artemisia coerulescens	Artemisia coerulescens	Others
BXGF05189	Dracontium loretense	Dracontium loretense	Others
BXGF05264	Magnolia officinalis	Magnolia officinalis	Medicinal Plant
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
BXGF06298	Hippocrepis emerus	Hippocrepis emerus	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}