acompound

Showing entry for Photoantheole

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0003372
Compound Name	Photoantheole
Structure
Formula	C16H16O2
InchiKey	CAWFCZIEFIQKRV-ONEGZZNKSA-N
SMILES	COC1=CC=C(\C=C\C2=CC=C(OC)C=C2)C=C1
Inchi	InChI=1S/C16H16O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h3-12H,1-2H3/b4-3+
IUPAC	1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
Molecular Weight	240.3
Pubchem Id	641296
Chembl Id	CHEMBL310102

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	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	-	>10000	-	-
reviewed	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed		Trpa1	-	10600	-	-
reviewed	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed		Trpa1	-	-	-	4200

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
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	EC50	'='	4200	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	IC50	'>'	10000	nM
Q64669	BXGT016128	NAD(P)H dehydrogenase [quinone] 1	reviewed	-	Nqo1	Activity	'>'	20	uM
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	IC50	'='	10600	nM
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	Efficacy	'='	86	%
Q9S446	BXGT021560	Class A sortase SrtA	unreviewed	-	srtA	IC50	'>'	1000000	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	Efficacy	'<'	10	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00137	Anise	Pimpinella anisum	Herbs and Spices

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}