acompound

Showing entry for Shikimic acid

General Compound Information
BXGC Id	BXGC0002806
Compound Name	Shikimic acid
Structure
Formula	C7H10O5
InchiKey	JXOHGGNKMLTUBP-HSUXUTPPSA-N
SMILES	O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O
Inchi	InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
IUPAC	(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid
Molecular Weight	174.15
Pubchem Id	8742
Chembl Id	CHEMBL290345

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

SKM

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
P9WPY3	BXGT012478	Shikimate kinase	reviewed	aroK	-	-	-	-	-
P56073	BXGT011143	Shikimate kinase	reviewed	aroK	-	-	-	-	-
P0A6D3	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	-	-	-
Q5SJF8	BXGT015745	Shikimate dehydrogenase (NADP(+))	reviewed	aroE	-	-	-	-	-
Q9SQT8	BXGT021602	Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, chloroplastic	reviewed	EMB3004	-	-	-	-	-
O67049	BXGT004972	Shikimate dehydrogenase (NADP(+))	reviewed	aroE	-	-	-	-	-
Q5HNV1	BXGT015417	Shikimate dehydrogenase (NADP(+))	reviewed	aroE	-	-	-	-	-
Q9X5C9	BXGT022150	Quinate/shikimate dehydrogenase (NAD(+))	reviewed	aroE	-	-	-	-	-
Q9KRB0	BXGT020987	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	-	-	-
Q9KVT3	BXGT021014	Shikimate dehydrogenase (NADP(+))	reviewed	aroE	-	-	-	-	-
P56119	BXGT011146	Shikimate dehydrogenase (NADP(+))	reviewed	aroE	-	-	-	-	-
Q83E11	BXGT017502	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	aroA	-	-	-	-	-
Q9GK12	BXGT020403	Peptidoglycan recognition protein 1	reviewed	PGLYRP1	-	-	-	-	-
Q8Y9N5	BXGT019107	Shikimate dehydrogenase (NADP(+))	reviewed	aroE	-	-	-	-	-
P58687	BXGT011242	3-dehydroquinate dehydratase	reviewed	aroD	-	-	-	-	-
I6Y120	BXGT003711	Probable shikimate 5-dehydrogenase AroE (5-dehydroshikimate reductase)	unreviewed	aroE	-	-	-	-	-
A0A0M3KL09	BXGT000564	Shikimate kinase	unreviewed	aroK	-	-	-	-	-
Q8Y9N7	BXGT019108	Lmo0488 protein	unreviewed	lmo0488	-	-	-	-	-
G0S061	BXGT024216	Pentafunctional AROM polypeptide [Includes: 3-dehydroquinate synthase	unreviewed	CTHT_0008860	-	-	-	-	-

Binding DB

50281998

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	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed		aroA	-	>90000000	-	-

CHEMBL

CHEMBL290345

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
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	4610	nM
O60656	BXGT004889	UDP-glucuronosyltransferase 1-9	reviewed	-	UGT1A9	Activity	'='	0	pm/min/mg
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	366	nM
P16581	BXGT008245	E-selectin	reviewed	-	SELE	Inhibition	'='	25	%
P16109	BXGT008194	P-selectin	reviewed	-	SELP	Inhibition	'='	-1	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<'	30	%
P0A6D3	BXGT007048	3-phosphoshikimate 1-carboxyvinyltransferase	reviewed	-	aroA	IC50	'>'	90000000	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	81	%
P14151	BXGT007990	L-selectin	reviewed	-	SELL	Inhibition	'='	12	%
P19224	BXGT008468	UDP-glucuronosyltransferase 1-6	reviewed	-	UGT1A6	Activity	'='	0	pm/min/mg
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-8	%
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	354	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	97	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-4	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00011	Cashew nut	Anacardium occidentale	Nuts
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00049	Chicory	Cichorium intybus	Vegetables
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00079	Common buckwheat	Fagopyrum esculentum	Cereals and cereal products
BXGF00081	Fig	Ficus carica	Fruits
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00086	Sunflower	Helianthus annuus	Herbs and Spices
BXGF00090	Star anise	Illicium verum	Herbs and Spices
BXGF00105	Apple	Malus pumila	Fruits
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00140	Pistachio	Pistacia vera	Nuts
BXGF00146	Sour cherry	Prunus cerasus	Fruits
BXGF00152	Pear	Pyrus communis	Fruits
BXGF00157	Gooseberry	Ribes uva-crispa	Fruits
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00166	Black elderberry	Sambucus nigra	Fruits
BXGF00199	Gram bean	Vigna mungo	Pulses
BXGF00200	Mung bean	Vigna radiata	Pulses
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00310	Coconut	Cocos nucifera	Fruits
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF00372	Mammee apple	Mammea americana	Fruits
BXGF00400	French plantain	Musa X paradisiaca	Fruits
BXGF00440	Soursop	Annona muricata	Fruits
BXGF00966	Tristania conferta	Tristania conferta	Others
BXGF00972	Plectranthus myrianthus	Plectranthus myrianthus	Others
BXGF00995	Dalbergia rubiginosa	Dalbergia rubiginosa	Others
BXGF01024	Pentaclethra macrophylla	Pentaclethra macrophylla	Medicinal Plant
BXGF01085	Veronica polita	Veronica polita	Medicinal Plant
BXGF01183	Glycosmis macrophylla	Glycosmis macrophylla	Others
BXGF01222	Ocimum tenuiflorum	Ocimum tenuiflorum	Medicinal Plant
BXGF01253	Stephania zippeliana	Stephania zippeliana	Others
BXGF01299	Firmiana simplex	Firmiana simplex	Medicinal Plant
BXGF01324	Albizia julibrissin	Albizia julibrissin	Medicinal Plant
BXGF01329	Eucalyptus apodophylla	Eucalyptus apodophylla	Medicinal Plant
BXGF01374	Balanops australiana	Balanops australiana	Others
BXGF01376	Acicarpha tribuloides	Acicarpha tribuloides	Others
BXGF01411	Waitzia acuminata	Waitzia acuminata	Others
BXGF01416	Hypericum polyanthemum	Hypericum polyanthemum	Others
BXGF01418	Distephanus angulifolius	Distephanus angulifolius	Others
BXGF01451	Mesembryanthemum tortuosum	Mesembryanthemum tortuosum	Medicinal Plant
BXGF01480	Periploca sepium	Periploca sepium	Medicinal Plant
BXGF01546	Vallaris heynei	Vallaris heynei	Medicinal Plant
BXGF01548	Campylotropis hirtella	Campylotropis hirtella	Medicinal Plant
BXGF01733	Caryopteris mongholica	Caryopteris mongholica	Others
BXGF01757	Centaurea zuccariniana	Centaurea zuccariniana	Others
BXGF01780	Selaginella tamariscina	Selaginella tamariscina	Medicinal Plant
BXGF01804	Euphorbia kansui	Euphorbia kansui	Medicinal Plant
BXGF02064	Corymbia citriodora	Corymbia citriodora	Medicinal Plant
BXGF02171	Centaurea musimomum	Centaurea musimomum	Others
BXGF02200	Mappia foetida	Mappia foetida	Medicinal Plant
BXGF02377	Cichorium glandulosum	Cichorium glandulosum	Others
BXGF02463	Selaginella doederleinii hieron	Selaginella doederleinii hieron	Others
BXGF02505	Pinus sylvestris	Pinus sylvestris	Medicinal Plant
BXGF02633	Breonia chinensis	Breonia chinensis	Medicinal Plant
BXGF02673	Satureja atropatana	Satureja atropatana	Others
BXGF02777	Loropetalum chinense	Loropetalum chinense	Medicinal Plant
BXGF02796	Centaurea arbutifolia	Centaurea arbutifolia	Others
BXGF02802	Araiostegiella perdurans	Araiostegiella perdurans	Others
BXGF02901	Senecio zoellneri	Senecio zoellneri	Others
BXGF02979	Panax stipuleanatus	Panax stipuleanatus	Others
BXGF03118	Piper acutifolium	Piper acutifolium	Medicinal Plant
BXGF03308	Bidens tripartita	Bidens tripartita	Medicinal Plant
BXGF03316	Titanotrichum oldhamii	Titanotrichum oldhamii	Others
BXGF03363	Hypericum japonicum	Hypericum japonicum	Medicinal Plant
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
BXGF03518	Mentha cardiaca	Mentha cardiaca	Others
BXGF03594	Cacalia robusta	Cacalia robusta	Others
BXGF03609	Xyris indica	Xyris indica	Medicinal Plant
BXGF03629	Aconitum palmatum	Aconitum palmatum	Medicinal Plant
BXGF03637	Rhodiola semenovii	Rhodiola semenovii	Others
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
BXGF03782	Boehmeria pannosa	Boehmeria pannosa	Others
BXGF03784	Codonopsis cordifolioidea	Codonopsis cordifolioidea	Human Edible Plant
BXGF03819	Ariocarpus fissuratus	Ariocarpus fissuratus	Human Edible Plant
BXGF04053	Smilax china	Smilax china	Medicinal Plant
BXGF04070	Acorus calamus	Acorus calamus	Medicinal Plant
BXGF04105	Dipentodon sinicus	Dipentodon sinicus	Others
BXGF04130	Cirsium carolinianum	Cirsium carolinianum	Others
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF04254	Hypericum oblongifolium	Hypericum oblongifolium	Medicinal Plant
BXGF04292	Bowdichia virgilioides	Bowdichia virgilioides	Medicinal Plant
BXGF04349	Monodora tenuifolia	Monodora tenuifolia	Human Edible Plant
BXGF04643	Selaginella pulvinata	Selaginella pulvinata	Medicinal Plant
BXGF04797	Tinospora hainanensis	Tinospora hainanensis	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04896	Kokoona reflexa	Kokoona reflexa	Others
BXGF05013	Piper lanceifolium	Piper lanceifolium	Others
BXGF05083	Viguiera decurrens	Viguiera decurrens	Medicinal Plant
BXGF05095	Wrightia tinctoria	Wrightia tinctoria	Medicinal Plant
BXGF05145	Sideritis brevibracteata	Sideritis brevibracteata	Human Edible Plant
BXGF05170	Crotalaria candicans	Crotalaria candicans	Others
BXGF05171	Erucastrum gallicum	Erucastrum gallicum	Others
BXGF05184	Maesa ramentacea	Maesa ramentacea	Medicinal Plant
BXGF05202	Flemingia philippinensis	Flemingia philippinensis	Medicinal Plant
BXGF05209	Veronica anagallis	Veronica anagallis	Medicinal Plant
BXGF05242	Euphorbia cornigera	Euphorbia cornigera	Others
BXGF05254	Pericome caudata	Pericome caudata	Others
BXGF05269	Hypericum perforatum	Hypericum perforatum	Medicinal Plant
BXGF05346	Acacia simplicifolia	Acacia simplicifolia	Others
BXGF05368	Salvia yosgadensis	Salvia yosgadensis	Others
BXGF05385	Eria japonica	Eria japonica	Others
BXGF05427	Salvia sessei	Salvia sessei	Others
BXGF05428	Sideroxylon cubense	Sideroxylon cubense	Others
BXGF05449	Tetradenia glauca	Tetradenia glauca	Others
BXGF05466	Juniperus drupacea	Juniperus drupacea	Medicinal Plant
BXGF05532	Aniba rosaeodora	Aniba rosaeodora	Medicinal Plant
BXGF05555	Anchusa officinalis	Anchusa officinalis	Medicinal Plant
BXGF05615	Ceropegia dichotoma	Ceropegia dichotoma	Garden Plant
BXGF05654	Pinus strobus	Pinus strobus	Medicinal Plant
BXGF05708	Ononis spinosa	Ononis spinosa	Medicinal Plant
BXGF05730	Alpinia blepharocalyx	Alpinia blepharocalyx	Medicinal Plant
BXGF05764	Eucalyptus jenseni	Eucalyptus jenseni	Others
BXGF05787	Smilax glabra	Smilax glabra	Medicinal Plant
BXGF05833	Dahlstedtia pentaphylla	Dahlstedtia pentaphylla	Others
BXGF05855	Geranium wilfordii maxim	Geranium wilfordii maxim	Others
BXGF05869	Salacia lehmbachii	Salacia lehmbachii	Medicinal Plant
BXGF05903	Crinum moorei	Crinum moorei	Others
BXGF05913	Eucalyptus globulus subsp. bicostata	Eucalyptus globulus subsp. bicostata	Medicinal Plant
BXGF05954	Pluchea odorata	Pluchea odorata	Others
BXGF05970	Nauclea parva	Nauclea parva	Others
BXGF06024	Uvaria microcarpa	Uvaria microcarpa	Human Edible Plant
BXGF06033	Euonymus tingens	Euonymus tingens	Medicinal Plant
BXGF06069	Dendrobium loddigesii	Dendrobium loddigesii	Medicinal Plant
BXGF06119	Gypsophila perfoliata	Gypsophila perfoliata	Others
BXGF06123	Cousinia canescens	Cousinia canescens	Others
BXGF06195	Pterocaulon virgatum	Pterocaulon virgatum	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	Medicinal Plant
BXGF06241	Vernonia cistifolia	Vernonia cistifolia	Others
BXGF06274	Sonneratia caseolaris	Sonneratia caseolaris	Medicinal Plant
BXGF06314	Teucrium scorodonia	Teucrium scorodonia	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}