acompound

Showing entry for 3-Pentadecylphenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005797
Compound Name	3-Pentadecylphenol
Structure
Formula	C21H36O
InchiKey	PTFIPECGHSYQNR-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCCCCC1=CC(O)=CC=C1
Inchi	InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
IUPAC	3-pentadecylphenol
Molecular Weight	304.51
Pubchem Id	68146
Chembl Id	CHEMBL34689

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	BXGT006778	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	reviewed		PLCG1	-	57960	-	-
reviewed	BXGT006778	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	reviewed		PLCG1	-	92580	-	-

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
P62593	BXGT011438	Beta-lactamase TEM	reviewed	-	bla;	IC50	'>'	33000	ug.mL-1
P08487	BXGT006778	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	reviewed	-	PLCG1	IC50	'='	92580	nM
P08487	BXGT006778	1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1	reviewed	-	PLCG1	IC50	'='	57960	nM
Q2V0Y6	BXGT014239	Beta-lactamase	unreviewed	-	pse-1	IC50	'='	20000	ug.mL-1
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Activity	-	-	-
P24735	BXGT008991	Beta-lactamase	reviewed	-	ampC	IC50	'='	45000	ug.mL-1
P08170	BXGT006736	Seed linoleate 13S-lipoxygenase-1	reviewed	-	LOX1.1	Activity	-	-	-
P13661	BXGT007939	Beta-lactamase OXA-1	reviewed	-	bla	IC50	'>'	33000	ug.mL-1
P05364	BXGT006351	Beta-lactamase	reviewed	-	ampC	IC50	'='	7200	ug.mL-1
P30897	BXGT009479	Beta-lactamase	reviewed	-	blaP	IC50	-	-	-
P00807	BXGT005664	Beta-lactamase	reviewed	-	blaZ	IC50	'='	33000	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00821	Nuts		Nuts
BXGF01401	Aronia arbutifolia	Aronia arbutifolia	Medicinal Plant
BXGF01520	Viscaria viscosa	Viscaria viscosa	Others
BXGF01532	Clibadium mexiae	Clibadium mexiae	Others
BXGF02469	Discaria serratifolia	Discaria serratifolia	Others
BXGF05097	Pteris dactylina	Pteris dactylina	Medicinal Plant
BXGF06172	Pyrostegia venusta	Pyrostegia venusta	Others
BXGF06324	Justicia hayatai	Justicia hayatai	Others

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}