acompound

Showing entry for 4-(2,3-Dihydroxy-3-Methylbutoxy)Furo[3,2-G]Chromen-7-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053274
Compound Name	4-(2,3-Dihydroxy-3-Methylbutoxy)Furo[3,2-G]Chromen-7-One
Structure
Formula	C16H16O6
InchiKey	PEWFWDOPJISUOK-UHFFFAOYSA-N
SMILES	O=c1ccc2c(o1)cc1c(c2OCC(C(O)(C)C)O)cco1
Inchi	InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3
IUPAC	4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
Molecular Weight	304.09
Pubchem Id	483513
Chembl Id	CHEMBL1438253

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

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
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	79432	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
P80244	BXGT011887	ATP-dependent Clp protease proteolytic subunit	reviewed	-	clpP	Potency	-	28183	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	89125	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	35481	nM
P17405	BXGT008304	Sphingomyelin phosphodiesterase	reviewed	Enzyme	SMPD1	Potency	-	31622	nM
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	22387	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	39810	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	17782	nM
Q9Y468	BXGT022270	Lethal(3)malignant brain tumor-like protein 1	reviewed	Epigenetic regulator	L3MBTL1	Potency	'='	39810	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	4610	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	31622	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01465	Heracleum maximum	Heracleum maximum	Medicinal Plant
BXGF02809	Prangos pabularia	Prangos pabularia	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF05603	Angelica archangelica	Angelica archangelica	Medicinal Plant
BXGF05891	Peucedanum palustre	Peucedanum palustre	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}