acompound

Showing entry for 3,4-Methylenedioxybenzaldehyde

General Compound Information
BXGC Id	BXGC0004744
Compound Name	3,4-Methylenedioxybenzaldehyde
Structure
Formula	C8H6O3
InchiKey	SATCULPHIDQDRE-UHFFFAOYSA-N
SMILES	[H]C(=O)C1=CC2=C(OCO2)C=C1
Inchi	InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
IUPAC	2H-1,3-benzodioxole-5-carbaldehyde
Molecular Weight	150.13
Pubchem Id	8438
Chembl Id	CHEMBL271663

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

5XC

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
A0A1A9TAK5	BXGT023051	Noroxomaritidine/norcraugsodine reductase	reviewed	NR	-	-	425000	-	-

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

CHEMBL271663

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	2818	nM
O01945	BXGT003953	Collagen	unreviewed	-		Activity	-	-	-
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	14125	nM
Q75NA5	BXGT016840	Gamma-aminobutyric acid receptor subunit beta	reviewed	-	Rdl	Activity	'='	93	%
O01945	BXGT003953	Collagen	unreviewed	-		Activity	'='	5	%
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	39810	nM
O01945	BXGT003953	Collagen	unreviewed	-		Activity	'='	30	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00195	Vanilla	Vanilla	Herbs and Spices
BXGF00943	Brickellia longifolia	Brickellia longifolia	Others
BXGF00976	Verbesina virginica	Verbesina virginica	Others
BXGF00991	Galium verum	Galium verum	Medicinal Plant
BXGF01072	Dichotomanthes tristaniicarpa	Dichotomanthes tristaniicarpa	Others
BXGF01165	Cochlearia officinalis	Cochlearia officinalis	Medicinal Plant
BXGF01368	Frullania brasiliensis	Frullania brasiliensis	Medicinal Plant
BXGF01396	Bupleurum rigidum	Bupleurum rigidum	Medicinal Plant
BXGF01531	Abies webbiana	Abies webbiana	Medicinal Plant
BXGF03575	Palisota barteri	Palisota barteri	Others
BXGF03737	Matsumurella chinensis	Matsumurella chinensis	Others
BXGF04427	Silene banksia	Silene banksia	Others
BXGF04540	Distemonanthus benthamianus	Distemonanthus benthamianus	Medicinal Plant
BXGF04590	Asplenium adiantum-nigrum	Asplenium adiantum-nigrum	Medicinal Plant
BXGF04642	Podocarpus minor	Podocarpus minor	Others
BXGF05127	Robinia pseudoacacia	Robinia pseudoacacia	Medicinal Plant
BXGF05189	Dracontium loretense	Dracontium loretense	Others
BXGF05648	Euphorbia wangii	Euphorbia wangii	Others
BXGF05671	Carpesium longifolium	Carpesium longifolium	Medicinal Plant
BXGF05694	Piper retrofractum	Piper retrofractum	Medicinal Plant
BXGF05741	Crocus corsicus	Crocus corsicus	Others
BXGF05792	Schefflera venulosa	Schefflera venulosa	Medicinal Plant
BXGF06264	Homalium laurifolium	Homalium laurifolium	Others
BXGF06316	Coelogyne nitida	Coelogyne nitida	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}