acompound

Showing entry for 1,3,5,6-Tetrahydroxyxanthen-9-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025733
Compound Name	1,3,5,6-Tetrahydroxyxanthen-9-One
Structure
Formula	C13H8O6
InchiKey	CCEBJWKUMKKCDF-UHFFFAOYSA-N
SMILES	Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1O)O
Inchi	InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
IUPAC	1,3,5,6-tetrahydroxyxanthen-9-one
Molecular Weight	260.03
Pubchem Id	5479774
Chembl Id	CHEMBL448040

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	BXGT008465	Potassium-transporting ATPase alpha chain 1	reviewed		ATP4A	-	60000	-	-
reviewed	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	-	69200	-	-
reviewed	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	34200	-	-	-

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
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	Ki	'='	34200	nM
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	IC50	'='	69200	nM
P54710	BXGT011070	Sodium/potassium-transporting ATPase subunit gamma	reviewed	Transporter	FXYD2	IC50	'='	60000	nM
Q13733	BXGT013394	Sodium/potassium-transporting ATPase subunit alpha-4	reviewed	Transporter	ATP1A4	IC50	'='	60000	nM
P13637	BXGT007933	Sodium/potassium-transporting ATPase subunit alpha-3	reviewed	Transporter	ATP1A3	IC50	'='	60000	nM
P54709	BXGT011069	Sodium/potassium-transporting ATPase subunit beta-3	reviewed	Transporter	ATP1B3	IC50	'='	60000	nM
P50993	BXGT010826	Sodium/potassium-transporting ATPase subunit alpha-2	reviewed	Transporter	ATP1A2	IC50	'='	60000	nM
P05026	BXGT006296	Sodium/potassium-transporting ATPase subunit beta-1	reviewed	Transporter	ATP1B1	IC50	'='	60000	nM
P14415	BXGT008010	Sodium/potassium-transporting ATPase subunit beta-2	reviewed	Transporter	ATP1B2	IC50	'='	60000	nM
P05023	BXGT006294	Sodium/potassium-transporting ATPase subunit alpha-1	reviewed	Transporter	ATP1A1	IC50	'='	60000	nM
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	Inhibition	'='	56	%
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	Inhibition	'='	75	%
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	Inhibition	'='	67	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01220	Hypericum scabrum	Hypericum scabrum	Medicinal Plant
BXGF04116	Tripterospermum lanceolatum	Tripterospermum lanceolatum	Others
BXGF05269	Hypericum perforatum	Hypericum perforatum	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}