acompound

Showing entry for Ethyl Vanillin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0039948
Compound Name	Ethyl Vanillin
Structure
Formula	C9H10O3
InchiKey	CBOQJANXLMLOSS-UHFFFAOYSA-N
SMILES	CCOc1cc(C=O)ccc1O
Inchi	InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
IUPAC	3-ethoxy-4-hydroxybenzaldehyde
Molecular Weight	166.06
Pubchem Id	8467
Chembl Id	CHEMBL508676

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
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	Potency	-	50118	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	25118	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	74978	nM
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	Potency	-	7079	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF02906	Garcinia conrauana	Garcinia conrauana	Human Edible Plant
BXGF03141	Achyranthes aspera	Achyranthes aspera	Medicinal Plant
BXGF03237	Morus macroura	Morus macroura	Medicinal Plant
BXGF03330	Sesbania grandiflora	Sesbania grandiflora	Medicinal Plant
BXGF03422	Rhizophora mangle	Rhizophora mangle	Medicinal Plant
BXGF03434	Raphanus raphanistrum	Raphanus raphanistrum	Medicinal Plant
BXGF03460	Microtropis japonica	Microtropis japonica	Others
BXGF03510	Phebalium bilobum	Phebalium bilobum	Others
BXGF03533	Neopringlea integrifolia	Neopringlea integrifolia	Others
BXGF03648	Schisandra sphaerandra	Schisandra sphaerandra	Medicinal Plant
BXGF05035	Salix alba	Salix alba	Medicinal Plant
BXGF05561	Drimia fugax	Drimia fugax	Others
BXGF05647	Betula davurica	Betula davurica	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}