acompound

Showing entry for 4-(2-Phenylpropan-2-Yl)Phenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029905
Compound Name	4-(2-Phenylpropan-2-Yl)Phenol
Structure
Formula	C15H16O
InchiKey	QBDSZLJBMIMQRS-UHFFFAOYSA-N
SMILES	Oc1ccc(cc1)C(c1ccccc1)(C)C
Inchi	InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
IUPAC	4-(2-phenylpropan-2-yl)phenol
Molecular Weight	212.12
Pubchem Id	11742
Chembl Id	CHEMBL194805

Targets of Information Source

DrugBank

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
P62508	BXGT011431	Estrogen-related receptor gamma	reviewed	Nuclear receptor	ESRRG	experimental	-

PDB

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
P62508	BXGT011431	Estrogen-related receptor gamma	reviewed	ESRRG	Nuclear receptor	-	13.9	-	-

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	BXGT011431	Estrogen-related receptor gamma	reviewed	Nuclear receptor	ESRRG	-	13.9	-	-
reviewed	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	-	140000	-	-
reviewed	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	-	9800	-	-
reviewed	BXGT008096	Androgen receptor	reviewed		Ar	-	39810.72	-	-

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
P15207	BXGT008096	Androgen receptor	reviewed	-	Ar	IC50	'='	39810	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Potency	-	1778	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Potency	-	50118	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Potency	-	3162	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	19952	nM
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	Potency	-	31622	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	74978	nM
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Potency	-	28183	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	19952	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	34376	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	61130	nM
C3SLN2	BXGT002447	DNA gyrase subunit B	unreviewed	-	gyrB	IC50	'='	390000	nM
Q47245	BXGT014704	DNA gyrase subunit A	unreviewed	-	gyrA	IC50	'='	390000	nM
C3SLN2	BXGT002447	DNA gyrase subunit B	unreviewed	-	gyrB	Inhibition	'='	96	%
Q47245	BXGT014704	DNA gyrase subunit A	unreviewed	-	gyrA	Inhibition	'='	96	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04820	Panax ginseng	Panax ginseng	0

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}