acompound

Showing entry for 3-Hydroxycoumarin

General Compound Information
BXGC Id	BXGC0035476
Compound Name	3-Hydroxycoumarin
Structure
Formula	C9H6O3
InchiKey	MJKVTPMWOKAVMS-UHFFFAOYSA-N
SMILES	O=c1oc2ccccc2cc1O
Inchi	InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
IUPAC	3-hydroxychromen-2-one
Molecular Weight	162.03
Pubchem Id	13650
Chembl Id	CHEMBL150372

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

SE2

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
P14920	BXGT008067	D-amino-acid oxidase	reviewed	DAO	-	13	-	-	-
E0QAF3	BXGT003048	Glycosyl hydrolase family 2, TIM barrel domain protein	unreviewed	uidA	-	-	-	-	-

Binding DB

50206007

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	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	-	131000	-	-
reviewed	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	-	62000	-	-
reviewed	BXGT012549	Sorbitol dehydrogenase	reviewed	Enzyme	SORD	-	106000	-	-
reviewed	BXGT019924	D-aspartate oxidase	reviewed		DDO	-	7579000	-	-
reviewed	BXGT008067	D-amino-acid oxidase	reviewed		DAO	-	943	-	-
reviewed	BXGT008067	D-amino-acid oxidase	reviewed		DAO	-	440	-	-
reviewed	BXGT008067	D-amino-acid oxidase	reviewed		DAO	156	-	-	-
reviewed	BXGT020424	Serine racemase	reviewed	Enzyme	SRR	-	>10000000	-	-
reviewed	BXGT008067	D-amino-acid oxidase	reviewed		DAO	-	-	6300	-
reviewed	BXGT008067	D-amino-acid oxidase	reviewed		DAO	-	35	-	-
reviewed	BXGT008067	D-amino-acid oxidase	reviewed		DAO	13	-	-	-
reviewed	BXGT008067	D-amino-acid oxidase	reviewed		DAO	-	-	4000	-
reviewed	BXGT008067	D-amino-acid oxidase	reviewed		DAO	-	-	5600	-

CHEMBL

CHEMBL150372

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
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	17782	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Ki	'='	156	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Kd	'='	4000	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Inhibition	-	-	-
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Activity	-	-	-
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Kinact	'>'	100	uM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	116	%
P04370	BXGT006197	Myelin basic protein	reviewed	-	Mbp	Activity	-	-	-
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Kinact	'='	0	uM
Q99489	BXGT019924	D-aspartate oxidase	reviewed	-	DDO	IC50	'='	7579000	nM
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'='	131000	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	0	-
Q00796	BXGT012549	Sorbitol dehydrogenase	reviewed	Enzyme	SORD	IC50	'='	106000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Kinact	'='	79	uM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Ki	'='	265	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Kinact	'='	9	uM
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'='	1	uM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	126	%
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	IC50	'='	34	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Kd	'='	6300	nM
Q9GZT4	BXGT020424	Serine racemase	reviewed	Enzyme	SRR	IC50	'>'	10000000	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	IC50	'='	943	nM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	IC50	'='	62000	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Ki	'='	13	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Kd	'='	5600	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	Ki	'='	3690	nM
P14920	BXGT008067	D-amino-acid oxidase	reviewed	-	DAO	IC50	'='	440	nM
Q99489	BXGT019924	D-aspartate oxidase	reviewed	-	DDO	Inhibition	-	-	-
Q9GZT4	BXGT020424	Serine racemase	reviewed	Enzyme	SRR	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05880	Holarrhena pubescens	Holarrhena pubescens	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}