acompound

Showing entry for 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one

General Compound Information
BXGC Id	BXGC0006211
Compound Name	5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one
Structure
Formula	C14H12O3
InchiKey	DKKJNZYHGRUXBS-BQYQJAHWSA-N
SMILES	COC1=CC(=O)OC(\C=C\C2=CC=CC=C2)=C1
Inchi	InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
IUPAC	4-methoxy-6-[(E)-2-phenylethenyl]-2H-pyran-2-one
Molecular Weight	228.24
Pubchem Id	5273621
Chembl Id	CHEMBL254218

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

CHEMBL254218

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
O14763	BXGT004093	Tumor necrosis factor receptor superfamily member 10B	reviewed	-	TNFRSF10B	FC	'='	2	-
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	Potency	-	25118	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	0	%
P51449	BXGT010846	Nuclear receptor ROR-gamma	reviewed	Nuclear receptor	RORC	Potency	-	1496	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	15848	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	8912	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	14125	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	11220	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	12589	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	31622	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	0	%
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	Potency	-	12589	nM
Q9R1A7	BXGT021413	Nuclear receptor subfamily 1 group I member 2	reviewed	-	Nr1i2	Potency	-	44668	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	37578	nM
P03433	BXGT006070	Polymerase acidic protein	reviewed	-	PA	Inhibition	'='	-	-
P55957	BXGT011137	BH3-interacting domain death agonist	reviewed	-	BID	Ki	'>'	33000	nM
Q07820	BXGT012942	Induced myeloid leukemia cell differentiation protein Mcl-1	reviewed	Signaling	MCL1	Ki	'>'	33000	nM
P35869	BXGT009877	Aryl hydrocarbon receptor	reviewed	Transcription factor	AHR	Potency	-	7079	nM
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	Potency	-	28183	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	1883	nM
Q16611	BXGT013644	Bcl-2 homologous antagonist/killer	reviewed	Signaling	BAK1	Ki	'>'	23000	nM
Q07817	BXGT012941	Bcl-2-like protein 1	reviewed	Signaling	BCL2L1	Ki	'>'	23000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00822	Beverages		Beverages
BXGF01250	Colchicum filifolium	Colchicum filifolium	Others
BXGF01256	Cynoglossum macrostylum	Cynoglossum macrostylum	Others
BXGF01686	Pulsatilla chinensis	Pulsatilla chinensis	Medicinal Plant
BXGF02206	Mucuna holtonii	Mucuna holtonii	Others
BXGF02233	Quercus marilandica	Quercus marilandica	Medicinal Plant
BXGF02446	Centaurea scoparia	Centaurea scoparia	Others
BXGF03054	Mimosa pigra	Mimosa pigra	Medicinal Plant
BXGF03338	Lindera umbellata	Lindera umbellata	Medicinal Plant
BXGF03601	Maclura cochinchinensis	Maclura cochinchinensis	Medicinal Plant
BXGF04035	Campanula choziatowskyi	Campanula choziatowskyi	Others
BXGF04178	Piper methysticum	Piper methysticum	Medicinal Plant
BXGF04208	Salvia patens	Salvia patens	Others
BXGF04214	Dialium excelsum	Dialium excelsum	Others
BXGF04380	Euphorbia hylonoma	Euphorbia hylonoma	Others
BXGF04409	Senecio platyphylloides	Senecio platyphylloides	Others
BXGF04418	Drymaria cordata	Drymaria cordata	Medicinal Plant
BXGF04442	Boesenbergia pandurata	Boesenbergia pandurata	Medicinal Plant
BXGF04447	Helleborus macranthus	Helleborus macranthus	Others
BXGF04448	Salix rosmarinifolia	Salix rosmarinifolia	Others
BXGF04455	Heliotropium scabrum	Heliotropium scabrum	Others
BXGF04457	Podocarpus dacrydioides	Podocarpus dacrydioides	Medicinal Plant
BXGF04469	Centaurea sonchifolia	Centaurea sonchifolia	Others
BXGF04472	Matricaria sabulosa	Matricaria sabulosa	Others
BXGF04489	Pterocaulon serrulatum	Pterocaulon serrulatum	Medicinal Plant
BXGF04504	Boswellia ovalifoliolata	Boswellia ovalifoliolata	Medicinal Plant
BXGF04515	Hardenbergia violacea	Hardenbergia violacea	Medicinal Plant
BXGF04529	Lonchocarpus chiricanus	Lonchocarpus chiricanus	Others
BXGF04533	Astragalus circassicus	Astragalus circassicus	Others
BXGF04543	Erythrina hypaphorus	Erythrina hypaphorus	Others
BXGF04548	Beilschmiedia madang	Beilschmiedia madang	Medicinal Plant
BXGF04555	Salvia lavanduloides	Salvia lavanduloides	Others
BXGF04573	Rubia akane	Rubia akane	Medicinal Plant
BXGF04586	Aniba santalodora	Aniba santalodora	Others
BXGF04618	Mentzelia decapetala	Mentzelia decapetala	Human Edible Plant
BXGF04648	Amorphophallus konjac	Amorphophallus konjac	Human Edible Plant
BXGF05231	Salvia virgata	Salvia virgata	Human Edible Plant
BXGF05551	Etlingera elatior	Etlingera elatior	Medicinal Plant
BXGF05566	Petunia axillaris subsp. parodii	Petunia axillaris subsp. parodii	Medicinal Plant
BXGF05730	Alpinia blepharocalyx	Alpinia blepharocalyx	Medicinal Plant
BXGF06122	Bethencourtia palmensis	Bethencourtia palmensis	Others
BXGF06203	Lepechinia urbanii	Lepechinia urbanii	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}