acompound

General Compound Information
BXGC Id	BXGC0000057
Compound Name	3,4-Dimethoxybenzoic acid
Structure
Formula	C9H10O4
InchiKey	DAUAQNGYDSHRET-UHFFFAOYSA-N
SMILES	COC1=C(OC)C=C(C=C1)C(O)=O
Inchi	InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
IUPAC	3,4-dimethoxybenzoic acid
Molecular Weight	182.17
Pubchem Id	7121
Chembl Id	CHEMBL118903

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
Q2IU02	BXGT014103	Cytochrome P450	unreviewed	RPB_3613	-	-	-	29500	-

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	BXGT013216	Alpha-(1,3)-fucosyltransferase 7	reviewed	Enzyme	FUT7	-	>200000	-	-
reviewed	BXGT010983	Alpha-glucosidase MAL12	reviewed		MAL12	-	>3.00e+5	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	6830	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	6180	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	8250	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	6700	-	-	-
reviewed	BXGT008802	Carbonic anhydrase 4	reviewed		CA4	6480	-	-	-
reviewed	BXGT008844	Carbonic anhydrase 6	reviewed		CA6	24420	-	-	-
reviewed	BXGT010864	Thiopurine S-methyltransferase	reviewed		TPMT	-	100000	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	7150	-	-	-
reviewed	BXGT021769	Carbonic anhydrase 14	reviewed		CA14	740	-	-	-

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
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	6830	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	6180	nM
Q9ULX7	BXGT021769	Carbonic anhydrase 14	reviewed	-	CA14	Ki	'='	740	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	6700	nM
P22748	BXGT008802	Carbonic anhydrase 4	reviewed	-	CA4	Ki	'='	6480	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	8250	nM
P23280	BXGT008844	Carbonic anhydrase 6	reviewed	-	CA6	Ki	'='	24420	nM
P51580	BXGT010864	Thiopurine S-methyltransferase	reviewed	-	TPMT	IC50	'='	100000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	-3	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'>'	100000	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	106	%
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	7150	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	35481	nM
D1KEB8	BXGT002823	Polyphenol oxidase	unreviewed	-	PPO	Inhibition	-	-	-
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	111	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00061	Coriander	Coriandrum sativum	Herbs and Spices
BXGF00121	Olive	Olea europaea	Vegetables
BXGF01267	Dendrobium chrysanthum	Dendrobium chrysanthum	Medicinal Plant
BXGF01890	Trollius chinensis	Trollius chinensis	Medicinal Plant
BXGF02956	Forsythia viridissima	Forsythia viridissima	Medicinal Plant
BXGF03058	Gymnacranthera paniculata	Gymnacranthera paniculata	Others
BXGF03161	Dendrobium chrysotoxum	Dendrobium chrysotoxum	Medicinal Plant
BXGF03253	Forsythia suspensa	Forsythia suspensa	Medicinal Plant
BXGF03257	Anagallis monelli	Anagallis monelli	Medicinal Plant
BXGF03346	Dendrobium candidum	Dendrobium candidum	Others
BXGF03397	Trifolium pratense	Trifolium pratense	Medicinal Plant
BXGF03632	Dendrobium fimbriatum	Dendrobium fimbriatum	Medicinal Plant
BXGF03713	Trollius macropetalus	Trollius macropetalus	Others
BXGF04500	Eliokarmos thyrsoides	Eliokarmos thyrsoides	Others
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF05173	Dendrobium nobile	Dendrobium nobile	Medicinal Plant
BXGF05354	Tabebuia avellanedae	Tabebuia avellanedae	Medicinal Plant
BXGF05834	Schisandra sphenanthera	Schisandra sphenanthera	Medicinal Plant
BXGF06069	Dendrobium loddigesii	Dendrobium loddigesii	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}