acompound

Showing entry for 4-Methyl-2-pentanone

General Compound Information
BXGC Id	BXGC0004218
Compound Name	4-Methyl-2-pentanone
Structure
Formula	C6H12O
InchiKey	NTIZESTWPVYFNL-UHFFFAOYSA-N
SMILES	CC(C)CC(C)=O
Inchi	InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
IUPAC	4-methylpentan-2-one
Molecular Weight	100.16
Pubchem Id	7909
Chembl Id	CHEMBL285323

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

n.a

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

CHEMBL

CHEMBL285323

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
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Potency	-	50118	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	12589	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	50118	nM
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Potency	-	15848	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00166	Black elderberry	Sambucus nigra	Fruits
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00303	Chia	Salvia hispanica	Herbs and Spices
BXGF00811	Citrus		Fruits
BXGF00821	Nuts		Nuts
BXGF00823	Fruits		Fruits
BXGF00998	Syncarpia hillii	Syncarpia hillii	Others
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01255	Lemaireocereus griseus	Lemaireocereus griseus	Human Edible Plant
BXGF01455	Diospyros eriantha	Diospyros eriantha	Others
BXGF01491	Alkanna cappadocica	Alkanna cappadocica	Medicinal Plant
BXGF01524	Artemisia dentata	Artemisia dentata	Others
BXGF01633	Scorzonera pseudodivaricata	Scorzonera pseudodivaricata	Others
BXGF01649	Rapanea lancifolia	Rapanea lancifolia	Others
BXGF01670	Ononis vaginalis	Ononis vaginalis	Others
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02526	Santalum album	Santalum album	Medicinal Plant
BXGF02663	Atalantia racemosa	Atalantia racemosa	Medicinal Plant
BXGF03342	Buddleja cordata	Buddleja cordata	Others
BXGF03747	Millettia erythrocalyx	Millettia erythrocalyx	Medicinal Plant
BXGF03814	Juniperus rigida var. conferta	Juniperus rigida var. conferta	Medicinal Plant
BXGF03978	Hoffmannia strigillosa	Hoffmannia strigillosa	Others
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05560	Crambe tatarica	Crambe tatarica	Medicinal Plant
BXGF06116	Pteris semipinnata	Pteris semipinnata	Others
BXGF06193	Fritillaria ningguoensis	Fritillaria ningguoensis	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}