acompound

Showing entry for Methyl Protocatechuate

General Compound Information
BXGC Id	BXGC0020412
Compound Name	Methyl Protocatechuate
Structure
Formula	C8H8O4
InchiKey	CUFLZUDASVUNOE-UHFFFAOYSA-N
SMILES	COC(=O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3
IUPAC	methyl 3,4-dihydroxybenzoate
Molecular Weight	168.04
Pubchem Id	287064
Chembl Id	CHEMBL486027

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

50242283

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	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	-	29640	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	810	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	580	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	710	-	-	-
reviewed	BXGT021769	Carbonic anhydrase 14	reviewed		CA14	890	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	960	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	790	-	-	-

CHEMBL

CHEMBL486027

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
D1KEB8	BXGT002823	Polyphenol oxidase	unreviewed	-	PPO	ID50	'='	0	uM/ml
P58335	BXGT011233	Anthrax toxin receptor 2	reviewed	Receptor	ANTXR2	IC50	'>'	300000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	710	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	960	nM
D1KEB8	BXGT002823	Polyphenol oxidase	unreviewed	-	PPO	Inhibition	'='	75	%
Q9ULX7	BXGT021769	Carbonic anhydrase 14	reviewed	-	CA14	Ki	'='	890	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	580	nM
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'='	29640	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	810	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	790	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00177	Sorghum	Sorghum bicolor	Cereals and cereal products
BXGF00959	Artemisia hanseniana	Artemisia hanseniana	Others
BXGF01123	Ranunculus ternatus	Ranunculus ternatus	Others
BXGF01159	Kopsia grandifolia	Kopsia grandifolia	Others
BXGF01228	Ageratina adenophora	Ageratina adenophora	Medicinal Plant
BXGF01281	Ledebouria socialis	Ledebouria socialis	Others
BXGF01361	Lycopus europaeus	Lycopus europaeus	Medicinal Plant
BXGF01400	Dipterocarpus dyeri	Dipterocarpus dyeri	Others
BXGF01518	Ipomoea cairica	Ipomoea cairica	Medicinal Plant
BXGF01699	Ceanothus velutinus	Ceanothus velutinus	Medicinal Plant
BXGF01732	Garcinia scortechinii	Garcinia scortechinii	Others
BXGF01756	Apollonias barbujana	Apollonias barbujana	Others
BXGF01781	Chlorophytum borivilianum	Chlorophytum borivilianum	Medicinal Plant
BXGF01890	Trollius chinensis	Trollius chinensis	Medicinal Plant
BXGF02316	Isodon lophanthoides	Isodon lophanthoides	Medicinal Plant
BXGF02596	Fragaria vesca	Fragaria vesca	Medicinal Plant
BXGF03090	Lasianthus fordii	Lasianthus fordii	Others
BXGF03318	Capsicum tetragonum	Capsicum tetragonum	Others
BXGF03934	Lycoris traubii	Lycoris traubii	Others
BXGF04350	Lygodium flexuosum	Lygodium flexuosum	Medicinal Plant
BXGF04709	Strychnos staudtii	Strychnos staudtii	Others
BXGF04727	Dictyoloma incanescens	Dictyoloma incanescens	Others
BXGF04738	Saccharum spontaneum	Saccharum spontaneum	Medicinal Plant
BXGF04746	Crotalaria anagyroides	Crotalaria anagyroides	Medicinal Plant
BXGF04778	Dasymaschalon sootepense	Dasymaschalon sootepense	Others
BXGF04782	Croton poilanei	Croton poilanei	Others
BXGF04794	Tsuga mertensiana	Tsuga mertensiana	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04834	Guatteria melosma	Guatteria melosma	Others
BXGF04860	Securinega melanthesoides	Securinega melanthesoides	Others
BXGF04865	Euonymus sachalinensis	Euonymus sachalinensis	Medicinal Plant
BXGF04870	Felicia erigeroides	Felicia erigeroides	Others
BXGF04879	Lupinus paniculatus	Lupinus paniculatus	Others
BXGF04886	Boehmeria nivea	Boehmeria nivea	Medicinal Plant
BXGF05096	Aconitum leucostomum	Aconitum leucostomum	Medicinal Plant
BXGF05200	Aquilegia ecalcarata	Aquilegia ecalcarata	Medicinal Plant
BXGF05316	Persea mexicana	Persea mexicana	Others
BXGF05767	Gardenia tubifera	Gardenia tubifera	Medicinal Plant
BXGF05845	Panax innovans	Panax innovans	Others
BXGF05956	Blumea mollis	Blumea mollis	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	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}