acompound

Showing entry for 4-(2,4,4-Trimethylpentan-2-Yl)Phenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042154
Compound Name	4-(2,4,4-Trimethylpentan-2-Yl)Phenol
Structure
Formula	C14H22O
InchiKey	ISAVYTVYFVQUDY-UHFFFAOYSA-N
SMILES	CC(c1ccc(cc1)O)(CC(C)(C)C)C
Inchi	InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
IUPAC	4-(2,4,4-trimethylpentan-2-yl)phenol
Molecular Weight	206.17
Pubchem Id	8814
Chembl Id	CHEMBL259327

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

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
P03372	BXGT006059	Estrogen receptor	reviewed	ESR1	Nuclear receptor	-	-	-	-
G1T7U7	BXGT003439	N-acylethanolamine-hydrolyzing acid amidase	reviewed	NAAA	-	-	-	-	-

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	BXGT006182	Sex hormone-binding globulin	reviewed		SHBG	-	-	2138	-

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
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	33498	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	25118	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29855	nM
P04278	BXGT006182	Sex hormone-binding globulin	reviewed	-	SHBG	Kd	'='	2137	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	22387	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	26608	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	13685	nM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Potency	-	39810	nM
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	Potency	-	25118	nM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Potency	-	2818	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	44668	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	3	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	21689	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF02788	Phlegmariurus fordii	Phlegmariurus fordii	Medicinal Plant
BXGF03933	Achillea millefolium	Achillea millefolium	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}