acompound

Showing entry for Batatasin III

General Compound Information
BXGC Id	BXGC0001841
Compound Name	Batatasin III
Structure
Formula	C15H16O3
InchiKey	VYQXIUVIYICVCM-UHFFFAOYSA-N
SMILES	COC1=CC(CCC2=CC(O)=CC=C2)=CC(O)=C1
Inchi	InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3
IUPAC	3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol
Molecular Weight	244.29
Pubchem Id	10466989
Chembl Id	CHEMBL450788

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

246487

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	6790	32320	-	-

CHEMBL

CHEMBL450788

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
P34903	BXGT009769	Gamma-aminobutyric acid receptor subunit alpha-3	reviewed	Ion channel	GABRA3	EC50	'='	67300	nM
P18507	BXGT008411	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	Ion channel	GABRG2	EC50	'='	67300	nM
P47870	BXGT010591	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	Ion channel	GABRB2	EC50	'='	67300	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'>'	100	ug.mL-1
P62157	BXGT011410	Calmodulin	reviewed	-	CALM	Activity	-	-	-
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	IC50	'>'	100	ug.mL-1
P28472	BXGT009260	Gamma-aminobutyric acid receptor subunit beta-3	reviewed	Ion channel	GABRB3	Imax	'='	1252	%
P18507	BXGT008411	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	Ion channel	GABRG2	Imax	'='	1252	%
P14867	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	Imax	'='	1252	%
P47869	BXGT010590	Gamma-aminobutyric acid receptor subunit alpha-2	reviewed	Ion channel	GABRA2	Imax	'='	1026	%
P18507	BXGT008411	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	Ion channel	GABRG2	Imax	'='	1026	%
P47870	BXGT010591	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	Ion channel	GABRB2	Imax	'='	1026	%
P34903	BXGT009769	Gamma-aminobutyric acid receptor subunit alpha-3	reviewed	Ion channel	GABRA3	Imax	'='	1694	%
P18507	BXGT008411	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	Ion channel	GABRG2	Imax	'='	1694	%
P47870	BXGT010591	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	Ion channel	GABRB2	Imax	'='	1694	%
P47869	BXGT010590	Gamma-aminobutyric acid receptor subunit alpha-2	reviewed	Ion channel	GABRA2	EC50	'='	80800	nM
P18507	BXGT008411	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	Ion channel	GABRG2	EC50	'='	80800	nM
P47870	BXGT010591	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	Ion channel	GABRB2	EC50	'='	80800	nM
P28472	BXGT009260	Gamma-aminobutyric acid receptor subunit beta-3	reviewed	Ion channel	GABRB3	EC50	'='	67200	nM
P18507	BXGT008411	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	Ion channel	GABRG2	EC50	'='	67200	nM
P14867	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	EC50	'='	67200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00114	Medlar	Mespilus germanica	Fruits
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00825	Root vegetables		Vegetables
BXGF00997	Bletilla striata	Bletilla striata	Medicinal Plant
BXGF01098	Gynochthodes parvifolia	Gynochthodes parvifolia	Medicinal Plant
BXGF01495	Pleione yunnanensis	Pleione yunnanensis	Others
BXGF01504	Gymnadenia conopsea	Gymnadenia conopsea	Medicinal Plant
BXGF01528	Corydalis conspersa	Corydalis conspersa	Others
BXGF02001	Sideritis grandiflora	Sideritis grandiflora	Others
BXGF02089	Ligustrum ovalifolium	Ligustrum ovalifolium	Others
BXGF02111	Mikania luetzelburgii	Mikania luetzelburgii	Others
BXGF02148	Nidema boothii	Nidema boothii	Others
BXGF02496	Pleione bulbocodioides	Pleione bulbocodioides	Others
BXGF02499	Cremastra appendiculata	Cremastra appendiculata	Medicinal Plant
BXGF03521	Sophora tomentosa	Sophora tomentosa	Medicinal Plant
BXGF03632	Dendrobium fimbriatum	Dendrobium fimbriatum	Medicinal Plant
BXGF03898	Dioscorea polystachya	Dioscorea polystachya	Medicinal Plant
BXGF05029	Pittosporum brevicalyx	Pittosporum brevicalyx	Others
BXGF05173	Dendrobium nobile	Dendrobium nobile	Medicinal Plant
BXGF05300	Ungernia victoris	Ungernia victoris	Others
BXGF05599	Solanum euacanthum	Solanum euacanthum	Others
BXGF05919	Dioscorea opposita	Dioscorea opposita	Human Edible 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}