acompound

Showing entry for boropinic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043282
Compound Name	boropinic acid
Structure
Formula	C15H18O4
InchiKey	DFEYQZMFSVQTGR-FNORWQNLSA-N
SMILES	COc1cc(/C=C/C(=O)O)ccc1OCC=C(C)C
Inchi	InChI=1S/C15H18O4/c1-11(2)8-9-19-13-6-4-12(5-7-15(16)17)10-14(13)18-3/h4-8,10H,9H2,1-3H3,(H,16,17)/b7-5+
IUPAC	(E)-3-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-enoic acid
Molecular Weight	262.12
Pubchem Id	10682896
Chembl Id	CHEMBL218105

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
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Inhibition	-	-	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	2	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	Activity	-	-	-
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	Inhibition	-	-	-
O95749	BXGT005394	Geranylgeranyl pyrophosphate synthase	reviewed	-	GGPS1	Inhibition	'='	9	%
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	1	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	0	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	1	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	0	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	1	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	1	-
P35869	BXGT009877	Aryl hydrocarbon receptor	reviewed	Transcription factor	AHR	Activity	-	-	-
P35869	BXGT009877	Aryl hydrocarbon receptor	reviewed	Transcription factor	AHR	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02187	Boronia pinnata	Boronia pinnata	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}