acompound

Showing entry for Paroxypropione

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030094
Compound Name	Paroxypropione
Structure
Formula	C9H10O2
InchiKey	RARSHUDCJQSEFJ-UHFFFAOYSA-N
SMILES	CCC(=O)c1ccc(cc1)O
Inchi	InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
IUPAC	1-(4-hydroxyphenyl)propan-1-one
Molecular Weight	150.07
Pubchem Id	6271
Chembl Id	CHEMBL312311

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	BXGT011907	4-aminobutyrate aminotransferase, mitochondrial	reviewed	Enzyme	ABAT	-	176000	-	-
reviewed	BXGT010872	Succinate-semialdehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH5A1	-	293000	-	-
reviewed	BXGT009956	Testosterone 17-beta-dehydrogenase 3	reviewed		HSD17B3	-	150560	-	-

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
P80404	BXGT011907	4-aminobutyrate aminotransferase, mitochondrial	reviewed	Enzyme	ABAT	IC50	'='	176000	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	4	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM
Q962Y6	BXGT019597	Thioredoxin glutathione reductase	unreviewed	-	TGR	Potency	'='	89125	nM
Q194T2	BXGT013743	Non-structural protein 1	unreviewed	-	NS1	Potency	'='	316	nM
P25094	BXGT009014	Peripheral myelin protein 22	reviewed	-	Pmp22	Potency	-	114	nM
P37058	BXGT009956	Testosterone 17-beta-dehydrogenase 3	reviewed	-	HSD17B3	IC50	'='	150560	nM
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	125892	nM
P51649	BXGT010872	Succinate-semialdehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH5A1	IC50	'='	293000	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	3	nM
P19785	BXGT008514	Estrogen receptor	reviewed	-	Esr1	RBA	'='	0	-
O08537	BXGT004028	Estrogen receptor beta	reviewed	-	Esr2	RBA	'='	0	-
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	5804	nM
P37058	BXGT009956	Testosterone 17-beta-dehydrogenase 3	reviewed	-	HSD17B3	Inhibition	'='	53	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00936	Tanacetum nubigenum	Tanacetum nubigenum	Others
BXGF01559	Achillea wilhelmsii	Achillea wilhelmsii	Others
BXGF02154	Sassafras officinalis	Sassafras officinalis	Others
BXGF02225	Backhousia angustifolia	Backhousia angustifolia	Others
BXGF02248	Juniperus ashei	Juniperus ashei	Medicinal Plant
BXGF02453	Cunninghamia lanceolata var. konishii	Cunninghamia lanceolata var. konishii	Others
BXGF02532	Dioscorea villosa	Dioscorea villosa	Medicinal Plant
BXGF05194	Acacia salicina	Acacia salicina	Medicinal Plant
BXGF05710	Blighia welwitschii	Blighia welwitschii	Human Edible Plant
BXGF06240	Kalanchoe blossfeldiana	Kalanchoe blossfeldiana	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}