acompound

Showing entry for 3,4-Methylenedioxybenzoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004745
Compound Name	3,4-Methylenedioxybenzoic acid
Structure
Formula	C8H6O4
InchiKey	VDVJGIYXDVPQLP-UHFFFAOYSA-N
SMILES	OC(=O)C1=CC2=C(OCO2)C=C1
Inchi	InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
IUPAC	2H-1,3-benzodioxole-5-carboxylic acid
Molecular Weight	166.13
Pubchem Id	7196
Chembl Id	CHEMBL573781

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
P9WIL5	BXGT012325	Pantothenate synthetase	reviewed	panC	-	-	-	5130000	-

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
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	19952	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	39810	nM
Q43054	BXGT014583	Trans-cinnamate 4-monooxygenase	reviewed	-	CYP73A16	IC50	'>'	100000	nM
Q43054	BXGT014583	Trans-cinnamate 4-monooxygenase	reviewed	-	CYP73A16	Inhibition	'='	58	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00557	Black salsify	Scorzonera hispanica	Vegetables
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF01119	Trapa japonica	Trapa japonica	Medicinal Plant
BXGF01339	Diospyros peregrina	Diospyros peregrina	Medicinal Plant
BXGF01363	Diospyros elliptifolia	Diospyros elliptifolia	Others
BXGF01525	Diospyros abyssinica	Diospyros abyssinica	Medicinal Plant
BXGF01572	Cratystylis conocephala	Cratystylis conocephala	Others
BXGF01645	Beaucarnea recurvata	Beaucarnea recurvata	Others
BXGF04540	Distemonanthus benthamianus	Distemonanthus benthamianus	Medicinal Plant
BXGF04590	Asplenium adiantum-nigrum	Asplenium adiantum-nigrum	Medicinal Plant
BXGF04947	Derris indica	Derris indica	Medicinal Plant
BXGF05331	Centaurea arenaria	Centaurea arenaria	Others
BXGF05638	Gutenbergia cordifolia	Gutenbergia cordifolia	Medicinal Plant
BXGF05834	Schisandra sphenanthera	Schisandra sphenanthera	Medicinal Plant
BXGF06247	Phyllodium pulchellum	Phyllodium pulchellum	Medicinal Plant
BXGF06286	Mikania scandens	Mikania scandens	Medicinal Plant
BXGF06326	Cotylelobium scabriusculum	Cotylelobium scabriusculum	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}