acompound

Showing entry for Caffeic acid ethyl ester

General Compound Information
BXGC Id	BXGC0000070
Compound Name	Caffeic acid ethyl ester
Structure
Formula	C11H12O4
InchiKey	WDKYDMULARNCIS-GQCTYLIASA-N
SMILES	CCOC(=O)\C=C\C1=CC(O)=C(O)C=C1
Inchi	InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
IUPAC	ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Weight	208.21
Pubchem Id	5317238
Chembl Id	CHEMBL17347

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

0XR

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
P04746	BXGT006256	Pancreatic alpha-amylase	reviewed	AMY2A	-	-	-	-	-
P02766	BXGT005953	Transthyretin	reviewed	TTR	Transporter	-	-	-	-

Binding DB

50029196

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	BXGT005953	Transthyretin	reviewed	Transporter	TTR	-	-	-	23000
reviewed	BXGT007824	Arachidonate 5-lipoxygenase	reviewed		Alox5	-	1150	-	-

CHEMBL

CHEMBL17347

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
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'>'	100000	nM
P02766	BXGT005953	Transthyretin	reviewed	Transporter	TTR	Inhibition	'<'	20	%
P02766	BXGT005953	Transthyretin	reviewed	Transporter	TTR	Activity	-	-	-
Q76353	BXGT016849	Integrase	unreviewed	-		IC50	'>'	100000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	100000	nM
P27487	BXGT009187	Dipeptidyl peptidase 4	reviewed	Enzyme	DPP4	IC50	'='	87720	nM
P12527	BXGT007824	Arachidonate 5-lipoxygenase	reviewed	-	Alox5	IC50	'='	1150	nM
P02766	BXGT005953	Transthyretin	reviewed	Transporter	TTR	EC50	'='	23000	nM
O95069	BXGT005348	Potassium channel subfamily K member 2	reviewed	Ion channel	KCNK2	FC	'='	1	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00174	Eggplant	Solanum melongena	Vegetables
BXGF00178	Spinach	Spinacia oleracea	Vegetables
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF00585	Vinegar		Baking goods
BXGF00941	Clerodendrum infortunatum	Clerodendrum infortunatum	Medicinal Plant
BXGF01315	Ipomoea purpurea	Ipomoea purpurea	Medicinal Plant
BXGF01480	Periploca sepium	Periploca sepium	Medicinal Plant
BXGF01668	Taraxacum platycarpum	Taraxacum platycarpum	Medicinal Plant
BXGF01812	Physalis alkekengi	Physalis alkekengi	Medicinal Plant
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02152	Taraxacum borealisinense	Taraxacum borealisinense	Others
BXGF02291	Primula denticulata	Primula denticulata	Medicinal Plant
BXGF02321	Campanula pendula	Campanula pendula	Others
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02388	Ipomoea nil	Ipomoea nil	Medicinal Plant
BXGF02509	Xanthium sibiricum	Xanthium sibiricum	Medicinal Plant
BXGF02630	Euphorbia cattimandoo	Euphorbia cattimandoo	Others
BXGF02726	Clerodendranthus spicatus	Clerodendranthus spicatus	Others
BXGF02951	Arum montanum	Arum montanum	Others
BXGF03014	Cirsium japonicum	Cirsium japonicum	Medicinal Plant
BXGF03082	Bidens pilosa	Bidens pilosa	Medicinal Plant
BXGF03336	Lepidium graminifolium	Lepidium graminifolium	Medicinal Plant
BXGF03378	Drosera indica	Drosera indica	Medicinal Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03515	Astragalus bisulcatus	Astragalus bisulcatus	Medicinal Plant
BXGF03523	Solanum melongena l	Solanum melongena l	Others
BXGF03593	Pinus flexilis	Pinus flexilis	Medicinal Plant
BXGF03598	Brachyglottis bidwillii	Brachyglottis bidwillii	Others
BXGF03621	Galium mollugo	Galium mollugo	Medicinal Plant
BXGF03630	Taraxacum coreanum	Taraxacum coreanum	Others
BXGF03634	Drummondita hassellii	Drummondita hassellii	Others
BXGF03638	Turnera ulmifolia	Turnera ulmifolia	Medicinal Plant
BXGF03647	Aconitum napellus	Aconitum napellus	Medicinal Plant
BXGF03667	Ephedra distachya	Ephedra distachya	Medicinal Plant
BXGF03685	Typha latifolia	Typha latifolia	Medicinal Plant
BXGF03700	Achillea nana	Achillea nana	Human Edible Plant
BXGF03723	Senegalia mellifera	Senegalia mellifera	Medicinal Plant
BXGF03736	Psilotum nudum	Psilotum nudum	Medicinal Plant
BXGF03768	Teucrium cossonii	Teucrium cossonii	Others
BXGF03777	Uncaria sterrophylla	Uncaria sterrophylla	Human Edible Plant
BXGF03801	Vicia amoena	Vicia amoena	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF03834	Flindersia xanthoxyla	Flindersia xanthoxyla	Others
BXGF03849	Calea lantanoides	Calea lantanoides	Others
BXGF03867	Bothriocline ripensis	Bothriocline ripensis	Others
BXGF03886	Ballota limbata	Ballota limbata	Medicinal Plant
BXGF03890	Boenninghausenia albiflora	Boenninghausenia albiflora	Medicinal Plant
BXGF03895	Cibotium barometz	Cibotium barometz	Medicinal Plant
BXGF03911	Dysosma pleianthum	Dysosma pleianthum	Others
BXGF03917	Coronilla cretica	Coronilla cretica	Others
BXGF03945	Gardenia imperialis	Gardenia imperialis	Others
BXGF03955	Grindelia scorzonerifolia	Grindelia scorzonerifolia	Others
BXGF03975	Lonchocarpus atropurpureus	Lonchocarpus atropurpureus	Others
BXGF03996	Baccharoides lasiopus	Baccharoides lasiopus	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	Medicinal Plant
BXGF04396	Dysosma pleiantha	Dysosma pleiantha	Others
BXGF04938	Achillea pratensis	Achillea pratensis	Others
BXGF05093	Eucalyptus campanulata	Eucalyptus campanulata	Others
BXGF05107	Cinnamomum pedunculatum	Cinnamomum pedunculatum	Others
BXGF05177	Alcea nudiflora	Alcea nudiflora	Others
BXGF05211	Boronia lanceolata	Boronia lanceolata	Others
BXGF05221	Corydalis crystallina	Corydalis crystallina	Others
BXGF05236	Ochradenus baccatus	Ochradenus baccatus	Human Edible Plant
BXGF05262	Chlorella pyrenoidosa	Chlorella pyrenoidosa	Others
BXGF05273	Plantago ovata	Plantago ovata	Medicinal Plant
BXGF05347	Lasianthus wallichii	Lasianthus wallichii	Others
BXGF05411	Mercurialis leiocarpa	Mercurialis leiocarpa	Others
BXGF05421	Tussilago farfara	Tussilago farfara	Medicinal Plant
BXGF05484	Thuja dolabrata	Thuja dolabrata	Others
BXGF05491	Harpagophytum procumbens	Harpagophytum procumbens	Medicinal Plant
BXGF05523	Rubus foliolosus	Rubus foliolosus	Human Edible Plant
BXGF05546	Lomandra hastilis	Lomandra hastilis	Others
BXGF05588	Acacia lemmoni	Acacia lemmoni	Others
BXGF05628	Podocarpus sellowii	Podocarpus sellowii	Others
BXGF05646	Neolitsea sericea	Neolitsea sericea	Medicinal Plant
BXGF05706	Anaphalis margaritacea	Anaphalis margaritacea	Medicinal Plant
BXGF05777	Gomesa radicans	Gomesa radicans	Others
BXGF05794	Capparis angulata	Capparis angulata	Others
BXGF05832	Hemiphragma heterophyllum	Hemiphragma heterophyllum	Medicinal Plant
BXGF05879	Klaseopsis chinensis	Klaseopsis chinensis	Others
BXGF05941	Chloranthus holostegius	Chloranthus holostegius	Others
BXGF06153	Carissa spinarum	Carissa spinarum	Medicinal Plant
BXGF06215	Elaeodendron alluaudianum	Elaeodendron alluaudianum	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}