acompound

Showing entry for Vanillate

General Compound Information
BXGC Id	BXGC0030176
Compound Name	Vanillate
Structure
Formula	C8H8O4
InchiKey	WKOLLVMJNQIZCI-UHFFFAOYSA-M
SMILES	COc1cc(ccc1[O-])C(=O)O
Inchi	InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1
IUPAC	4-carboxy-2-methoxyphenolate
Molecular Weight	167.03
Pubchem Id	54675858
Chembl Id

Targets of Information Source

DrugBank

DB02130

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
P26602	BXGT009121	Chorismate pyruvate-lyase	reviewed	-	ubiC	experimental	-

PDB

VNL

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
P26602	BXGT009121	Chorismate pyruvate-lyase	reviewed	ubiC	-	-	-	-	-
Q9HUR5	BXGT020608	Vanillate porin OpdK	unreviewed	opdK	-	-	-	-	-
Q13AR6	BXGT013411	Twin-arginine translocation pathway signal	unreviewed	RPD_1586	-	-	-	-	-
Q8RJ47	BXGT018714	5-carboxyvanillate decarboxylase	unreviewed	ligW	-	-	-	-	-
G2IQS7	BXGT003454	Vanillate/3-O-methylgallate O-demethylase	reviewed	ligM	-	-	-	-	-
Q8NN31	BXGT018584	Predicted transcriptional regulators	unreviewed	Cgl2382	-	-	-	13000	-
Q8NN31	BXGT018584	Predicted transcriptional regulators	unreviewed	Cgl2382	-	-	-	-	-

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

n.a

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

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00073	Japanese persimmon	Diospyros kaki	Fruits
BXGF01109	Styrax benzoin	Styrax benzoin	Medicinal Plant
BXGF01215	Cirsium setosum	Cirsium setosum	Medicinal Plant
BXGF01245	Amomum villosum	Amomum villosum	Medicinal Plant
BXGF01580	Changium smyrnioides	Changium smyrnioides	Medicinal Plant
BXGF01654	Plumbago zeylanica	Plumbago zeylanica	Medicinal Plant
BXGF01754	Cryptotaenia japonica	Cryptotaenia japonica	Medicinal Plant
BXGF01856	Aquilaria sinensis	Aquilaria sinensis	Medicinal Plant
BXGF01936	Brucea javanica	Brucea javanica	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02330	Codonopsis pilosula	Codonopsis pilosula	Medicinal Plant
BXGF02620	Rosa chinensis	Rosa chinensis	Medicinal Plant
BXGF02635	Ephedra sinica	Ephedra sinica	Medicinal Plant
BXGF02874	Tadehagi triquetrum	Tadehagi triquetrum	Medicinal Plant
BXGF03179	Eurycoma sp.	Eurycoma sp.	Others
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03660	Microcos paniculata	Microcos paniculata	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03789	Paeonia veitchii	Paeonia veitchii	Medicinal Plant
BXGF03910	Polyalthia nemoralis	Polyalthia nemoralis	Medicinal Plant
BXGF04163	Isodon serra	Isodon serra	Others
BXGF04303	Anemarrhena asphodeloides	Anemarrhena asphodeloides	Medicinal Plant
BXGF04389	Humulus japonicus	Humulus japonicus	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05432	Ampelopsis glandulosa var. brevipedunculata	Ampelopsis glandulosa var. brevipedunculata	Others
BXGF05834	Schisandra sphenanthera	Schisandra sphenanthera	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}