acompound

Showing entry for Quinic Acid

General Compound Information
BXGC Id	BXGC0047891
Compound Name	Quinic Acid
Structure
Formula	C7H12O6
InchiKey	AAWZDTNXLSGCEK-WYWMIBKRSA-N
SMILES	O[C@@H]1[C@H](O)C[C@@](C[C@H]1O)(O)C(=O)O
Inchi	InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1
IUPAC
Molecular Weight	192.06
Pubchem Id
Chembl Id	CHEMBL465398

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

QIC

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
Q9X5C9	BXGT022150	Quinate/shikimate dehydrogenase (NAD(+))	reviewed	aroE	-	-	-	-	-
P58687	BXGT011242	3-dehydroquinate dehydratase	reviewed	aroD	-	-	-	-	-
Q9SQT8	BXGT021602	Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, chloroplastic	reviewed	EMB3004	-	-	-	-	-

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

CHEMBL465398

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	95	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	98	%
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	6513	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	100000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'='	18	%
P16109	BXGT008194	P-selectin	reviewed	-	SELP	IC50	-	-	-
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	18356	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	-	-	-
P16109	BXGT008194	P-selectin	reviewed	-	SELP	Inhibition	-	-	-
P16581	BXGT008245	E-selectin	reviewed	-	SELE	Inhibition	-	-	-
P16581	BXGT008245	E-selectin	reviewed	-	SELE	IC50	-	-	-
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	IC50	'>'	100000	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Activity	'='	1	uM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	'='	100	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00213	European cranberry	Vaccinium oxycoccos	Fruits
BXGF00904	Platonia insignis	Platonia insignis	Medicinal Plant
BXGF00931	Ipomoea digitata	Ipomoea digitata	Medicinal Plant
BXGF00982	Matricaria suffruticosa	Matricaria suffruticosa	Medicinal Plant
BXGF01034	Annona cornifolia	Annona cornifolia	Human Edible Plant
BXGF01174	Salvia syriaca	Salvia syriaca	Others
BXGF01204	Solanum laxum	Solanum laxum	Medicinal Plant
BXGF01222	Ocimum tenuiflorum	Ocimum tenuiflorum	Medicinal Plant
BXGF01374	Balanops australiana	Balanops australiana	Others
BXGF01376	Acicarpha tribuloides	Acicarpha tribuloides	Others
BXGF01456	Eucalyptus melliodora	Eucalyptus melliodora	Others
BXGF01546	Vallaris heynei	Vallaris heynei	Medicinal Plant
BXGF01555	Scutellaria amoena	Scutellaria amoena	Medicinal Plant
BXGF01614	Goniothalamus malayanus	Goniothalamus malayanus	Others
BXGF01619	Centaurea calcitrapa	Centaurea calcitrapa	Medicinal Plant
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF01834	Lysimachia mauritiana	Lysimachia mauritiana	Others
BXGF01881	Wedelia prostrata	Wedelia prostrata	Others
BXGF01883	Swertia franchetiana	Swertia franchetiana	Medicinal Plant
BXGF01903	Erica glauca	Erica glauca	Others
BXGF01989	Helipterum roseum	Helipterum roseum	Others
BXGF02050	Hedysarum connatum	Hedysarum connatum	Others
BXGF02064	Corymbia citriodora	Corymbia citriodora	Medicinal Plant
BXGF02068	Leucas neufliseana	Leucas neufliseana	Others
BXGF02088	Zanthoxylum tetraspermum	Zanthoxylum tetraspermum	Medicinal Plant
BXGF02125	Artemisia assoana	Artemisia assoana	Others
BXGF02171	Centaurea musimomum	Centaurea musimomum	Others
BXGF02183	Dumortiera hirsuta	Dumortiera hirsuta	Medicinal Plant
BXGF02246	Lepisorus ussuriensis	Lepisorus ussuriensis	Medicinal Plant
BXGF02268	Ginkgo semen	Ginkgo semen	Others
BXGF02295	Alstonia spathulata	Alstonia spathulata	Others
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
BXGF02505	Pinus sylvestris	Pinus sylvestris	Medicinal Plant
BXGF02515	Viguiera incana	Viguiera incana	Others
BXGF02529	Astragalus sempervirens	Astragalus sempervirens	Others
BXGF02541	Euphorbia pekinensis	Euphorbia pekinensis	Medicinal Plant
BXGF02554	Marrubium anisodon	Marrubium anisodon	Medicinal Plant
BXGF02593	Wikstroemia retusa	Wikstroemia retusa	Others
BXGF02606	Naucleopsis ternstroemiiflora	Naucleopsis ternstroemiiflora	Others
BXGF02796	Centaurea arbutifolia	Centaurea arbutifolia	Others
BXGF02802	Araiostegiella perdurans	Araiostegiella perdurans	Others
BXGF02901	Senecio zoellneri	Senecio zoellneri	Others
BXGF02965	Arabidopsis thaliana	Arabidopsis thaliana	Medicinal Plant
BXGF03029	Udotea petiolata	Udotea petiolata	Others
BXGF03118	Piper acutifolium	Piper acutifolium	Medicinal Plant
BXGF03308	Bidens tripartita	Bidens tripartita	Medicinal Plant
BXGF03363	Hypericum japonicum	Hypericum japonicum	Medicinal Plant
BXGF03367	Tecoma pentaphylla	Tecoma pentaphylla	Others
BXGF03405	Genista sessilifolia	Genista sessilifolia	Others
BXGF03467	Corydalis sewerzowi	Corydalis sewerzowi	Medicinal Plant
BXGF03476	Hylocomium splendens	Hylocomium splendens	Others
BXGF03493	Trapa bicornis	Trapa bicornis	Medicinal Plant
BXGF03594	Cacalia robusta	Cacalia robusta	Others
BXGF03609	Xyris indica	Xyris indica	Medicinal Plant
BXGF03629	Aconitum palmatum	Aconitum palmatum	Medicinal Plant
BXGF03650	Onoseris alata	Onoseris alata	Others
BXGF03659	Carpesium faberi	Carpesium faberi	Others
BXGF03668	Vellozia streptophylla	Vellozia streptophylla	Others
BXGF03681	Aconitum tianschanicum	Aconitum tianschanicum	Others
BXGF03691	Solanum diflorum	Solanum diflorum	Others
BXGF03699	Staehelina fruticosa	Staehelina fruticosa	Others
BXGF03708	Gomphostemma parviflorum	Gomphostemma parviflorum	Others
BXGF03717	Chlamydomonas allensworthii	Chlamydomonas allensworthii	Others
BXGF03727	Hippobroma longiflora	Hippobroma longiflora	Others
BXGF03736	Psilotum nudum	Psilotum nudum	Medicinal Plant
BXGF03763	Millettia laurentii	Millettia laurentii	Medicinal Plant
BXGF03765	Alcea rosea	Alcea rosea	Medicinal Plant
BXGF03784	Codonopsis cordifolioidea	Codonopsis cordifolioidea	Human Edible Plant
BXGF03819	Ariocarpus fissuratus	Ariocarpus fissuratus	Human Edible Plant
BXGF03947	Rumex maritimus	Rumex maritimus	Medicinal Plant
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04333	Jacobaea vulgaris	Jacobaea vulgaris	Others
BXGF04349	Monodora tenuifolia	Monodora tenuifolia	Human Edible Plant
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04760	Wikstroemia chamaedaphne	Wikstroemia chamaedaphne	Medicinal Plant
BXGF04896	Kokoona reflexa	Kokoona reflexa	Others
BXGF05083	Viguiera decurrens	Viguiera decurrens	Medicinal Plant
BXGF05145	Sideritis brevibracteata	Sideritis brevibracteata	Human Edible Plant
BXGF05184	Maesa ramentacea	Maesa ramentacea	Medicinal Plant
BXGF05187	Calostephane divaricata	Calostephane divaricata	Others
BXGF05202	Flemingia philippinensis	Flemingia philippinensis	Medicinal Plant
BXGF05220	Ulmus americana	Ulmus americana	Medicinal Plant
BXGF05242	Euphorbia cornigera	Euphorbia cornigera	Others
BXGF05260	Peucedanum praeruptorum	Peucedanum praeruptorum	Medicinal Plant
BXGF05290	Reaumuria hirtella	Reaumuria hirtella	Others
BXGF05361	Coleus esquirolii	Coleus esquirolii	Others
BXGF05368	Salvia yosgadensis	Salvia yosgadensis	Others
BXGF05428	Sideroxylon cubense	Sideroxylon cubense	Others
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05532	Aniba rosaeodora	Aniba rosaeodora	Medicinal Plant
BXGF05545	Litsea glutinosa	Litsea glutinosa	Medicinal Plant
BXGF05620	Echinosophora koreensis	Echinosophora koreensis	Others
BXGF05654	Pinus strobus	Pinus strobus	Medicinal Plant
BXGF05673	Garcinia intermedia	Garcinia intermedia	Human Edible Plant
BXGF05723	Bellium bellidioides	Bellium bellidioides	Others
BXGF05730	Alpinia blepharocalyx	Alpinia blepharocalyx	Medicinal Plant
BXGF05742	Caragana aurantiaca	Caragana aurantiaca	Others
BXGF05745	Elegia deusta	Elegia deusta	Others
BXGF05764	Eucalyptus jenseni	Eucalyptus jenseni	Others
BXGF05770	Sida veronicaefolia	Sida veronicaefolia	Medicinal Plant
BXGF05833	Dahlstedtia pentaphylla	Dahlstedtia pentaphylla	Others
BXGF05862	Premna odorata	Premna odorata	Medicinal Plant
BXGF05869	Salacia lehmbachii	Salacia lehmbachii	Medicinal Plant
BXGF05881	Salvia munzii	Salvia munzii	Others
BXGF05901	Kielmeyera coriacea	Kielmeyera coriacea	Medicinal Plant
BXGF05914	Solanum transcaucasicum	Solanum transcaucasicum	Others
BXGF05916	Senecio densiflorus	Senecio densiflorus	Others
BXGF05951	Consolida hohenackeri	Consolida hohenackeri	Others
BXGF05954	Pluchea odorata	Pluchea odorata	Others
BXGF06027	Angelica taiwaniana	Angelica taiwaniana	Medicinal Plant
BXGF06033	Euonymus tingens	Euonymus tingens	Medicinal Plant
BXGF06037	Cotyledon secunda	Cotyledon secunda	Others
BXGF06068	Lithospermum officinale	Lithospermum officinale	Medicinal Plant
BXGF06146	Sarcococca vagans	Sarcococca vagans	Medicinal Plant
BXGF06179	Trachelospermum lucidum	Trachelospermum lucidum	Medicinal Plant
BXGF06227	Rauvolfia vomitoria	Rauvolfia vomitoria	Medicinal Plant
BXGF06237	Gnetum latifolium	Gnetum latifolium	Medicinal Plant
BXGF06327	Cynara humilis	Cynara humilis	Human Edible 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}