acompound

Showing entry for 3-(3,4-Dimethoxyphenyl)-2-propenoic acid

General Compound Information
BXGC Id	BXGC0006262
Compound Name	3-(3,4-Dimethoxyphenyl)-2-propenoic acid
Structure
Formula	C11H12O4
InchiKey	HJBWJAPEBGSQPR-GQCTYLIASA-N
SMILES	COC1=C(OC)C=C(\C=C\C(O)=O)C=C1
Inchi	InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
IUPAC	(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Molecular Weight	208.21
Pubchem Id	717531
Chembl Id	CHEMBL320295

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

50341141

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	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	7204000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	>350000	-	-

CHEMBL

CHEMBL320295

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	'='	12589	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	794	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	25118	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	39810	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'>'	350000	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<'	30	%
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	25118	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	39810	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	22387	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	35481	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	5	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
Q4R6F8	BXGT014886	T-complex protein 1 subunit beta	reviewed	-	CCT2	Potency	-	8912	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	108	%
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	19952	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	446	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	89125	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	22387	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	91	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00121	Olive	Olea europaea	Vegetables
BXGF00458	Wasabi	Wasabia japonica	Herbs and Spices
BXGF00822	Beverages		Beverages
BXGF01104	Garcinia cambogia	Garcinia cambogia	Medicinal Plant
BXGF01252	Petasites laevigatus	Petasites laevigatus	Medicinal Plant
BXGF01404	Sphaeranthus confertifolius	Sphaeranthus confertifolius	Others
BXGF01556	Ornithoglossum viride	Ornithoglossum viride	Others
BXGF01606	Schizanthus tricolor	Schizanthus tricolor	Others
BXGF01631	Anodendron affine	Anodendron affine	Medicinal Plant
BXGF01669	Hertia cheirifolia	Hertia cheirifolia	Others
BXGF01720	Cedrela salvadorensis	Cedrela salvadorensis	Others
BXGF03296	Woodsia manchuriensis	Woodsia manchuriensis	Others
BXGF04070	Acorus calamus	Acorus calamus	Medicinal Plant
BXGF04400	Polygala tenuifolia	Polygala tenuifolia	Medicinal Plant
BXGF04511	Eritrichium sericeum	Eritrichium sericeum	Others
BXGF04550	Chrysosplenium americanum	Chrysosplenium americanum	Medicinal Plant
BXGF04580	Phlogacanthus tubiflorus	Phlogacanthus tubiflorus	Human Edible Plant
BXGF04606	Anemone tomentosa	Anemone tomentosa	Others
BXGF04653	Sabia japonica	Sabia japonica	Others
BXGF05235	Phlomoides rotata	Phlomoides rotata	Others
BXGF05272	Laggera alata	Laggera alata	Medicinal Plant
BXGF05436	Rubia tetragona	Rubia tetragona	Others
BXGF05511	Acorus gramineus	Acorus gramineus	Medicinal Plant
BXGF05858	Ormosia hosiei	Ormosia hosiei	Medicinal Plant
BXGF05946	Gypsophila licentiana hand.-mazz.	Gypsophila licentiana hand.-mazz.	Others
BXGF06071	Acorus tatarinowii	Acorus tatarinowii	Medicinal Plant
BXGF06250	Licaria chrysophylla	Licaria chrysophylla	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}