acompound

Showing entry for Gentisic acid

General Compound Information
BXGC Id	BXGC0000502
Compound Name	Gentisic acid
Structure
Formula	C7H6O4
InchiKey	WXTMDXOMEHJXQO-UHFFFAOYSA-N
SMILES	OC(=O)C1=C(O)C=CC(O)=C1
Inchi	InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
IUPAC	2,5-dihydroxybenzoic acid
Molecular Weight	154.12
Pubchem Id	3469
Chembl Id	CHEMBL1461

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

GTQ

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
P05230	BXGT006344	Fibroblast growth factor 1	reviewed	FGF1	Signaling	-	-	-	-
Q67FT0	BXGT016179	Gentisate 1,2-dioxygenase	unreviewed	C7441_11945	-	-	-	-	-
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	CA2	-	5000000	-	-	-
A0A420U2F4	BXGT024801	2,3-dihydroxybenzoate decarboxylase	unreviewed	BFJ70_g2310	-	-	-	-	-

Binding DB

50335808

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	BXGT013216	Alpha-(1,3)-fucosyltransferase 7	reviewed	Enzyme	FUT7	-	115000	-	-
reviewed	BXGT008271	Prolyl 4-hydroxylase subunit alpha-1	reviewed		P4HA1	1400000	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	-	5000000	-	-
reviewed	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	-	75000	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	>100000	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	6600	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	68000	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	4100	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	4200	-	-	-
reviewed	BXGT021769	Carbonic anhydrase 14	reviewed		CA14	67000	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	7300	-	-	-

CHEMBL

CHEMBL1461

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
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	100000	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	50118	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	7300	nM
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	Inhibition	'='	-3	%
P22894	BXGT008815	Neutrophil collagenase	reviewed	Enzyme	MMP8	Inhibition	'='	1	%
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	Inhibition	'='	40	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	96	%
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	'='	75000	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	100000	nM
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	Inhibition	'='	86	%
Q9ULX7	BXGT021769	Carbonic anhydrase 14	reviewed	-	CA14	Ki	'='	67000	nM
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Inhibition	'='	24	%
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	68000	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Inhibition	'='	11	%
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	89125	nM
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	Inhibition	'='	0	%
P03956	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	Inhibition	'='	13	%
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	4200	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	IC50	'='	5000000	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	104	%
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	6600	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	84	%
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	4100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00016	Peanut	Arachis hypogaea	Nuts
BXGF00018	Horseradish	Armoracia rusticana	Herbs and Spices
BXGF00019	Tarragon	Artemisia dracunculus	Herbs and Spices
BXGF00041	Papaya	Carica papaya	Fruits
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00085	Soy bean	Glycine max	Soy
BXGF00089	Hyssop	Hyssopus officinalis	Herbs and Spices
BXGF00105	Apple	Malus pumila	Fruits
BXGF00107	German camomile	Matricaria recutita	Herbs and Spices
BXGF00108	Lemon balm	Melissa officinalis	Herbs and Spices
BXGF00115	Bitter gourd	Momordica charantia	Gourds
BXGF00118	Nutmeg	Myristica fragrans	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00120	Evening primrose	Oenothera biennis	Herbs and Spices
BXGF00122	Sweet marjoram	Origanum majorana	Herbs and Spices
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00141	Common pea	Pisum sativum	Pulses
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00152	Pear	Pyrus communis	Fruits
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00159	Rosemary	Rosmarinus officinalis	Herbs and Spices
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00170	Sesame	Sesamum orientale	Herbs and Spices
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF00187	Common wheat	Triticum aestivum	Cereals and cereal products
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00213	European cranberry	Vaccinium oxycoccos	Fruits
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00248	Beer		Beverages
BXGF00310	Coconut	Cocos nucifera	Fruits
BXGF00354	Jerusalem artichoke	Helianthus tuberosus	Vegetables
BXGF00570	Grape wine		Beverages
BXGF00787	Yellow pond-lily	Nuphar lutea	Herbs and Spices
BXGF00924	Phoenix loureiroi	Phoenix loureiroi	Medicinal Plant
BXGF00931	Ipomoea digitata	Ipomoea digitata	Medicinal Plant
BXGF00968	Thalictrum longistylum	Thalictrum longistylum	Medicinal Plant
BXGF01012	Pterocarpus santalinus	Pterocarpus santalinus	Medicinal Plant
BXGF01034	Annona cornifolia	Annona cornifolia	Human Edible Plant
BXGF01074	Centella asiatica	Centella asiatica	Medicinal Plant
BXGF01147	Chelidonium majus	Chelidonium majus	Medicinal Plant
BXGF01174	Salvia syriaca	Salvia syriaca	Others
BXGF01181	Atylosia trinervia	Atylosia trinervia	Others
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01204	Solanum laxum	Solanum laxum	Medicinal Plant
BXGF01219	Salvia parryi	Salvia parryi	Others
BXGF01272	Iris ensata	Iris ensata	Medicinal Plant
BXGF01357	Ampelopsis japonica	Ampelopsis japonica	Medicinal Plant
BXGF01380	Cneorum pulverulentum	Cneorum pulverulentum	Medicinal Plant
BXGF01456	Eucalyptus melliodora	Eucalyptus melliodora	Others
BXGF01506	Thymus quinquecostatus	Thymus quinquecostatus	Medicinal Plant
BXGF01516	Petasites georgicus	Petasites georgicus	Others
BXGF01555	Scutellaria amoena	Scutellaria amoena	Medicinal Plant
BXGF01614	Goniothalamus malayanus	Goniothalamus malayanus	Others
BXGF01834	Lysimachia mauritiana	Lysimachia mauritiana	Others
BXGF01841	Cedronella canariensis	Cedronella canariensis	Medicinal Plant
BXGF01883	Swertia franchetiana	Swertia franchetiana	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF01989	Helipterum roseum	Helipterum roseum	Others
BXGF01991	Rosa rugosa	Rosa rugosa	Medicinal Plant
BXGF02050	Hedysarum connatum	Hedysarum connatum	Others
BXGF02088	Zanthoxylum tetraspermum	Zanthoxylum tetraspermum	Medicinal Plant
BXGF02121	Humata pectinata	Humata pectinata	Others
BXGF02125	Artemisia assoana	Artemisia assoana	Others
BXGF02183	Dumortiera hirsuta	Dumortiera hirsuta	Medicinal Plant
BXGF02246	Lepisorus ussuriensis	Lepisorus ussuriensis	Medicinal Plant
BXGF02295	Alstonia spathulata	Alstonia spathulata	Others
BXGF02307	Diospyros verrucosa	Diospyros verrucosa	Human Edible Plant
BXGF02326	Phoebe pittieri	Phoebe pittieri	Others
BXGF02361	Hypericum laricifolium	Hypericum laricifolium	Medicinal Plant
BXGF02410	Adiantum lunulatum	Adiantum lunulatum	Medicinal Plant
BXGF02460	Peltostigma guatemalense	Peltostigma guatemalense	Others
BXGF02491	Acacia adunca	Acacia adunca	Others
BXGF02515	Viguiera incana	Viguiera incana	Others
BXGF02529	Astragalus sempervirens	Astragalus sempervirens	Others
BXGF02554	Marrubium anisodon	Marrubium anisodon	Medicinal Plant
BXGF02593	Wikstroemia retusa	Wikstroemia retusa	Others
BXGF02606	Naucleopsis ternstroemiiflora	Naucleopsis ternstroemiiflora	Others
BXGF02623	Physalis edulis	Physalis edulis	Others
BXGF02841	Gleditsia caspica	Gleditsia caspica	Medicinal Plant
BXGF02937	Senecio scandens	Senecio scandens	Medicinal Plant
BXGF02989	Turpinia ternata	Turpinia ternata	Medicinal Plant
BXGF03072	Athanasia crithmifolia	Athanasia crithmifolia	Others
BXGF03234	Plantago major	Plantago major	Medicinal Plant
BXGF03398	Solanum nigrum	Solanum nigrum	Medicinal Plant
BXGF03412	Perovskia abrotanoides	Perovskia abrotanoides	Medicinal Plant
BXGF03947	Rumex maritimus	Rumex maritimus	Medicinal Plant
BXGF04007	Bistorta vivipara	Bistorta vivipara	Medicinal Plant
BXGF04076	Tetraneuris acaulis	Tetraneuris acaulis	Others
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04294	Dracocephalum moldavicum	Dracocephalum moldavicum	Others
BXGF04329	Swertia swertopsis	Swertia swertopsis	Others
BXGF04337	Premna tomentosa	Premna tomentosa	Medicinal Plant
BXGF04348	Sagittaria sagittifolia	Sagittaria sagittifolia	Medicinal Plant
BXGF04359	Cunonia macrophylla	Cunonia macrophylla	Medicinal Plant
BXGF04367	Tsuga chinensis	Tsuga chinensis	Medicinal Plant
BXGF04369	Taxus brevifolia	Taxus brevifolia	Medicinal Plant
BXGF04373	Virgilia divaricata	Virgilia divaricata	Others
BXGF04378	Entada rheedei	Entada rheedei	Medicinal Plant
BXGF04394	Aucuba chinensis	Aucuba chinensis	Others
BXGF04398	Utricularia australis	Utricularia australis	Others
BXGF04403	Amsinckia tessellata	Amsinckia tessellata	Others
BXGF04404	Carica dodecaphylla	Carica dodecaphylla	Others
BXGF04406	Citrus tangerina	Citrus tangerina	Human Edible Plant
BXGF04411	Crocus minimus	Crocus minimus	Human Edible Plant
BXGF04414	Curculigo pilosa	Curculigo pilosa	Medicinal Plant
BXGF04416	Sideritis euboea	Sideritis euboea	Others
BXGF04423	Osteospermum muricatum	Osteospermum muricatum	Others
BXGF04425	Centaurea huber-morathii	Centaurea huber-morathii	Others
BXGF04429	Sisyrinchium californicum	Sisyrinchium californicum	Others
BXGF04432	Saussurea amara	Saussurea amara	Others
BXGF04439	Lysiana subfalcata	Lysiana subfalcata	Human Edible Plant
BXGF04441	Haplophyllum ramosissimum	Haplophyllum ramosissimum	Others
BXGF04446	Peperomia vulcanica	Peperomia vulcanica	Medicinal Plant
BXGF04456	Sorbus tianschanica	Sorbus tianschanica	Medicinal Plant
BXGF04463	Platycarya strobilacea	Platycarya strobilacea	Medicinal Plant
BXGF04474	Helichrysum mixtum	Helichrysum mixtum	Others
BXGF04478	Cynometra lujae	Cynometra lujae	Others
BXGF04482	Aspalathus linearis	Aspalathus linearis	Medicinal Plant
BXGF04486	Eupatorium areolare	Eupatorium areolare	Others
BXGF04492	Stephania elegans	Stephania elegans	Medicinal Plant
BXGF04522	Cardamine pinnata	Cardamine pinnata	Others
BXGF04524	Codonocarpus australis	Codonocarpus australis	Others
BXGF04531	Schizonepeta multifida	Schizonepeta multifida	Others
BXGF04537	Swertia japonica	Swertia japonica	Medicinal Plant
BXGF04546	Quercus serrata	Quercus serrata	Medicinal Plant
BXGF04551	Crateva nurvala	Crateva nurvala	Human Edible Plant
BXGF04556	Xyris pterygoblephara	Xyris pterygoblephara	Others
BXGF04567	Polygala amara	Polygala amara	Medicinal Plant
BXGF04574	Stephania sutchuenensis	Stephania sutchuenensis	Others
BXGF04583	Unonopsis glaucopetala	Unonopsis glaucopetala	Others
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04609	Rubus rosa	Rubus rosa	Medicinal Plant
BXGF04616	Pleogyne cunninghamii	Pleogyne cunninghamii	Others
BXGF04626	Pyrola decorata	Pyrola decorata	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04633	Pleogyne cunninghami	Pleogyne cunninghami	Others
BXGF04639	Euonymus nanoides	Euonymus nanoides	Others
BXGF04667	Cerbera dilatata	Cerbera dilatata	Others
BXGF04674	Achillea clypeolata	Achillea clypeolata	Others
BXGF04679	Bridelia ferruginea	Bridelia ferruginea	Medicinal Plant
BXGF04692	Berberis julianae	Berberis julianae	Medicinal Plant
BXGF04695	Zieria smithii	Zieria smithii	Others
BXGF04701	Bystropogon origanifolius	Bystropogon origanifolius	Others
BXGF04759	Calendula officinalis	Calendula officinalis	Medicinal Plant
BXGF04843	Brickellia vernicosa	Brickellia vernicosa	Others
BXGF04850	Macaranga peltata	Macaranga peltata	Medicinal Plant
BXGF04910	Spinulum annotinum	Spinulum annotinum	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05187	Calostephane divaricata	Calostephane divaricata	Others
BXGF05235	Phlomoides rotata	Phlomoides rotata	Others
BXGF05244	Elephantopus mollis	Elephantopus mollis	Medicinal Plant
BXGF05295	Gomortega keule	Gomortega keule	Human Edible Plant
BXGF05517	Quercus robur	Quercus robur	Medicinal Plant
BXGF05625	Jacobaea subalpina	Jacobaea subalpina	Others
BXGF05742	Caragana aurantiaca	Caragana aurantiaca	Others
BXGF05749	Kali turgidum	Kali turgidum	Medicinal Plant
BXGF05753	Citrus limonia	Citrus limonia	Medicinal Plant
BXGF05776	Picea mariana	Picea mariana	Medicinal Plant
BXGF05828	Viguiera oblongifolia	Viguiera oblongifolia	Others
BXGF05862	Premna odorata	Premna odorata	Medicinal Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	Medicinal Plant
BXGF06034	Viburnum urceolatum	Viburnum urceolatum	Others
BXGF06037	Cotyledon secunda	Cotyledon secunda	Others
BXGF06088	Euryops algoensis	Euryops algoensis	Others
BXGF06096	Artemisia schimperi	Artemisia schimperi	Others
BXGF06137	Aconitum burnatii	Aconitum burnatii	Others
BXGF06139	Brassica rapa subsp. oleifera	Brassica rapa subsp. oleifera	0
BXGF06227	Rauvolfia vomitoria	Rauvolfia vomitoria	Medicinal Plant
BXGF06237	Gnetum latifolium	Gnetum latifolium	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	Medicinal Plant
BXGF06263	Litsea pungens	Litsea pungens	Medicinal Plant
BXGF06273	Parablechnum minus	Parablechnum minus	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}