acompound

Showing entry for Eupatorin

General Compound Information
BXGC Id	BXGC0001026
Compound Name	Eupatorin
Structure
Formula	C18H16O7
InchiKey	KLAOKWJLUQKWIF-UHFFFAOYSA-N
SMILES	COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C(OC)=C(OC)C=C2O1
Inchi	InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
IUPAC	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one
Molecular Weight	344.32
Pubchem Id	97214
Chembl Id	CHEMBL487402

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

50344054

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	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	210	-	-	-
reviewed	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	35	-	-	-

CHEMBL

CHEMBL487402

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
O14965	BXGT004117	Aurora kinase A	reviewed	Kinase	AURKA	Ki	'='	1000	nM
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Ki	'='	35	nM
P35968	BXGT009887	Vascular endothelial growth factor receptor 2	reviewed	Kinase	KDR	Ki	'='	794	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Activity	'='	47	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	72	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Ki	'='	210	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	87	%
Q96GD4	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	Ki	'='	39	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00010	Lemon verbena	Aloysia triphylla	Herbs and Spices
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00075	Black crowberry	Empetrum nigrum	Fruits
BXGF00085	Soy bean	Glycine max	Soy
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00168	Winter savory	Satureja montana	Herbs and Spices
BXGF00868	Clusia torresii	Clusia torresii	Others
BXGF00917	Rauvolfia tetraphylla	Rauvolfia tetraphylla	Medicinal Plant
BXGF00934	Aristolochia maxima	Aristolochia maxima	Medicinal Plant
BXGF00948	Artemisia apiacea	Artemisia apiacea	Medicinal Plant
BXGF01037	Ferula assa-foetida	Ferula assa-foetida	Medicinal Plant
BXGF01094	Asplenium nidus	Asplenium nidus	Human Edible Plant
BXGF01182	Betula mandshurica	Betula mandshurica	Medicinal Plant
BXGF01216	Drosera spatulata	Drosera spatulata	Others
BXGF01247	Achillea collina	Achillea collina	Others
BXGF01415	Mikania obtusata	Mikania obtusata	Others
BXGF01557	Jasminum officinale	Jasminum officinale	Medicinal Plant
BXGF01629	Satureja odora	Satureja odora	Medicinal Plant
BXGF01715	Bergenia purpurascens	Bergenia purpurascens	Medicinal Plant
BXGF01744	Xylosma longifolia	Xylosma longifolia	Medicinal Plant
BXGF01748	Dacryodes normandii	Dacryodes normandii	Others
BXGF01758	Cirsium helenioides	Cirsium helenioides	Others
BXGF01790	Riccia fluitans	Riccia fluitans	Others
BXGF01826	Hypericum hirsutum	Hypericum hirsutum	Medicinal Plant
BXGF01854	Eupatorium semiserratum	Eupatorium semiserratum	Others
BXGF01864	Baccharis trimera	Baccharis trimera	Medicinal Plant
BXGF01880	Stevia salicifolia	Stevia salicifolia	Others
BXGF01904	Orthosiphon aristatus	Orthosiphon aristatus	Medicinal Plant
BXGF01924	Handroanthus guayacan	Handroanthus guayacan	Others
BXGF01961	Polygala myrtifolia	Polygala myrtifolia	Others
BXGF02090	Ligularia platyglossa	Ligularia platyglossa	Medicinal Plant
BXGF02128	Rhodiola krylovii	Rhodiola krylovii	Others
BXGF02224	Rapanea myricoides	Rapanea myricoides	Others
BXGF02228	Pterocaulon rugosum	Pterocaulon rugosum	Others
BXGF02247	Crataegus sinaica	Crataegus sinaica	Human Edible Plant
BXGF02249	Ulmus laciniata	Ulmus laciniata	Medicinal Plant
BXGF02298	Malus asiatica	Malus asiatica	Medicinal Plant
BXGF02396	Artemisia vachanica	Artemisia vachanica	Others
BXGF02411	Lasiocephalus ovatus	Lasiocephalus ovatus	Others
BXGF02427	Montrouziera sphaeroidea	Montrouziera sphaeroidea	Others
BXGF02443	Cotoneaster orbicularis	Cotoneaster orbicularis	Others
BXGF02450	Bischofia trifoliata	Bischofia trifoliata	Others
BXGF02517	Pimpinella saxifraga	Pimpinella saxifraga	Medicinal Plant
BXGF02531	Caragana tibetica	Caragana tibetica	Medicinal Plant
BXGF02538	Macrotyloma axillare	Macrotyloma axillare	Others
BXGF02555	Trigonostemon reidioides	Trigonostemon reidioides	Medicinal Plant
BXGF02569	Ibervillea sonorae	Ibervillea sonorae	Medicinal Plant
BXGF02581	Euphorbia ferganensis	Euphorbia ferganensis	Others
BXGF02594	Arachniodes dimorphophylla	Arachniodes dimorphophylla	Others
BXGF02608	Oreosolen wattii	Oreosolen wattii	Others
BXGF02726	Clerodendranthus spicatus	Clerodendranthus spicatus	Others
BXGF02742	Discaria crenata	Discaria crenata	Others
BXGF02889	Salvia prionitis	Salvia prionitis	Medicinal Plant
BXGF02909	Eupatorium leucolepis	Eupatorium leucolepis	Others
BXGF02917	Albizia amara	Albizia amara	Medicinal Plant
BXGF02946	Artemisia anomala	Artemisia anomala	Medicinal Plant
BXGF02977	Jateorhiza palmata	Jateorhiza palmata	Medicinal Plant
BXGF03016	Ephedra lomatolepis	Ephedra lomatolepis	Others
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03172	Picradeniopsis oppositifolia	Picradeniopsis oppositifolia	Others
BXGF03252	Tetraria capillaris	Tetraria capillaris	Others
BXGF03284	Senecio tricephalus	Senecio tricephalus	Others
BXGF03292	Maytenus guianensis	Maytenus guianensis	Others
BXGF03314	Saussurea triangulata	Saussurea triangulata	Others
BXGF03324	Phleum africanum	Phleum africanum	Others
BXGF03338	Lindera umbellata	Lindera umbellata	Medicinal Plant
BXGF03347	Stephania succifera	Stephania succifera	Medicinal Plant
BXGF03365	Veronicastrum virginicum	Veronicastrum virginicum	Others
BXGF03375	Clausena indica	Clausena indica	Human Edible Plant
BXGF03390	Gentiana olivieri	Gentiana olivieri	Medicinal Plant
BXGF03403	Vernonia serratuloides	Vernonia serratuloides	Others
BXGF03458	Ardisia macrocarpa	Ardisia macrocarpa	Human Edible Plant
BXGF03470	Chlorophytum malayense	Chlorophytum malayense	Medicinal Plant
BXGF03472	Tropaeolum speciosum	Tropaeolum speciosum	Others
BXGF03482	Gnetum cleistostachyum	Gnetum cleistostachyum	Others
BXGF03529	Pinus thunbergii	Pinus thunbergii	Medicinal Plant
BXGF03543	Teucrium alyssifolium	Teucrium alyssifolium	Others
BXGF03559	Orthosiphon stamineus	Orthosiphon stamineus	Medicinal Plant
BXGF03568	Senecio grandiflorus	Senecio grandiflorus	Others
BXGF03577	Zephyranthes carinata	Zephyranthes carinata	Medicinal Plant
BXGF03597	Angelica ursina	Angelica ursina	Medicinal Plant
BXGF03606	Pinus halepensis	Pinus halepensis	Medicinal Plant
BXGF03928	Celmisia petriei	Celmisia petriei	Others
BXGF04120	Solanum bahamense	Solanum bahamense	Others
BXGF04247	Tinospora smilacina	Tinospora smilacina	Medicinal Plant
BXGF04408	Sarcomelicope argyrophylla	Sarcomelicope argyrophylla	Others
BXGF04698	Isodon rubescens	Isodon rubescens	Others
BXGF04705	Abrus precatorius	Abrus precatorius	Medicinal Plant
BXGF04844	Primula veris	Primula veris	Medicinal Plant
BXGF05110	Euonymus maackii	Euonymus maackii	Others
BXGF05376	Eschscholzia californica	Eschscholzia californica	Medicinal Plant
BXGF05481	Populus tremula	Populus tremula	Medicinal Plant
BXGF05550	Morus yunnanensis	Morus yunnanensis	Others
BXGF05553	Astragalus inopinatus	Astragalus inopinatus	Others
BXGF05639	Mulguraea tridens	Mulguraea tridens	Others
BXGF05683	Vaccinium ashei	Vaccinium ashei	Medicinal Plant
BXGF05751	Vatica diospyroides	Vatica diospyroides	Others
BXGF05821	Nicotiana gossei	Nicotiana gossei	Medicinal Plant
BXGF05867	Asphodelus tenuifolius	Asphodelus tenuifolius	Medicinal Plant
BXGF06041	Pithecellobium clypearia	Pithecellobium clypearia	Medicinal Plant
BXGF06125	Senecio integerrimus	Senecio integerrimus	Others
BXGF06202	Solidago spathulata	Solidago spathulata	Medicinal Plant
BXGF06221	Annona rensoniana	Annona rensoniana	Others
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	Medicinal Plant
BXGF06256	Delphinium hybr	Delphinium hybr	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}