acompound

Showing entry for Polygodial

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044162
Compound Name	Polygodial
Structure
Formula	C15H22O2
InchiKey	AZJUJOFIHHNCSV-KCQAQPDRSA-N
SMILES	O=C[C@H]1C(=CC[C@@H]2[C@]1(C)CCCC2(C)C)C=O
Inchi	InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1
IUPAC	(1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
Molecular Weight	234.16
Pubchem Id	72503
Chembl Id	CHEMBL254550

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	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	-	-	-	59

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
O35433	BXGT004528	Transient receptor potential cation channel subfamily V member 1	reviewed	-	Trpv1	Inhibition	'='	76	%
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	EC50	'='	59	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	Activity	-	-	-
P43681	BXGT010407	Neuronal acetylcholine receptor subunit alpha-4	reviewed	Ion channel	CHRNA4	IC50	'='	62500	nM
P17787	BXGT008341	Neuronal acetylcholine receptor subunit beta-2	reviewed	Ion channel	CHRNB2	IC50	'='	62500	nM
P43681	BXGT010407	Neuronal acetylcholine receptor subunit alpha-4	reviewed	Ion channel	CHRNA4	Activity	-	-	-
P17787	BXGT008341	Neuronal acetylcholine receptor subunit beta-2	reviewed	Ion channel	CHRNB2	Activity	-	-	-
P32297	BXGT009616	Neuronal acetylcholine receptor subunit alpha-3	reviewed	Ion channel	CHRNA3	Activity	-	-	-
P30926	BXGT009482	Neuronal acetylcholine receptor subunit beta-4	reviewed	Ion channel	CHRNB4	Activity	-	-	-
P32297	BXGT009616	Neuronal acetylcholine receptor subunit alpha-3	reviewed	Ion channel	CHRNA3	IC50	'='	48200	nM
P30926	BXGT009482	Neuronal acetylcholine receptor subunit beta-4	reviewed	Ion channel	CHRNB4	IC50	'='	48200	nM
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	Activity	-	-	-
P43681	BXGT010407	Neuronal acetylcholine receptor subunit alpha-4	reviewed	Ion channel	CHRNA4	Inhibition	-	-	-
P17787	BXGT008341	Neuronal acetylcholine receptor subunit beta-2	reviewed	Ion channel	CHRNB2	Inhibition	-	-	-
P36544	BXGT009926	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	CHRNA7	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF02286	Cinnamosma madagascariensis	Cinnamosma madagascariensis	Others
BXGF02577	Zanthoxylum planispinum	Zanthoxylum planispinum	Medicinal Plant
BXGF02601	Helenium arizonicum	Helenium arizonicum	Others
BXGF04225	Tacca plantaginea	Tacca plantaginea	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}