acompound

Showing entry for Chrysene

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0049073
Compound Name	Chrysene
Structure
Formula	C18H12
InchiKey	WDECIBYCCFPHNR-UHFFFAOYSA-N
SMILES	c1ccc2c(c1)c1ccc3c(c1cc2)cccc3
Inchi	InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
IUPAC	chrysene
Molecular Weight	228.09
Pubchem Id	9171
Chembl Id	CHEMBL85685

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	BXGT005556	Hypoxanthine-guanine phosphoribosyltransferase	reviewed	Enzyme	HPRT1	8980	-	-	-

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
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	4327	nM
P00492	BXGT005556	Hypoxanthine-guanine phosphoribosyltransferase	reviewed	Enzyme	HPRT1	Ki	'='	8980	nM
Q9R1A7	BXGT021413	Nuclear receptor subfamily 1 group I member 2	reviewed	-	Nr1i2	Potency	-	1995	nM
P35869	BXGT009877	Aryl hydrocarbon receptor	reviewed	Transcription factor	AHR	Potency	-	11220	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	6113	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas

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}