acompound

Showing entry for Batatasin IV

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004767
Compound Name	Batatasin IV
Structure
Formula	C15H16O3
InchiKey	IUMFLNFLJUUODE-UHFFFAOYSA-N
SMILES	COC1=CC(CCC2=CC=CC=C2O)=CC(O)=C1
Inchi	InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
IUPAC	3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol
Molecular Weight	244.29
Pubchem Id	181271
Chembl Id	CHEMBL228126

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

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
P09960	BXGT006952	Leukotriene A-4 hydrolase	reviewed	LTA4H	-	-	500	-	-

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	BXGT005592	Pancreatic triacylglycerol lipase	reviewed		PNLIP	6280	30140	-	-
reviewed	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	-	>40900	-	-
reviewed	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	-	>40900	-	-

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
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'>'	40900	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'>'	100	ug.mL-1
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	IC50	'>'	40900	nM
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	IC50	'>'	100	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00825	Root vegetables		Vegetables
BXGF01045	Dioscorea japonica	Dioscorea japonica	Medicinal Plant
BXGF03847	Thermopsis mollis	Thermopsis mollis	Others
BXGF03898	Dioscorea polystachya	Dioscorea polystachya	Medicinal Plant
BXGF04430	Crinum latifolium	Crinum latifolium	Medicinal Plant
BXGF05073	Alnus cordata	Alnus cordata	Human Edible Plant
BXGF05308	Aloe deltoideodonta	Aloe deltoideodonta	Others
BXGF05501	Bauhinia purpurea	Bauhinia purpurea	Medicinal Plant
BXGF05919	Dioscorea opposita	Dioscorea opposita	Human Edible Plant
BXGF05960	Leitneria floridana	Leitneria floridana	Others
BXGF06124	Notholaena aschenborniana	Notholaena aschenborniana	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}