acompound

Showing entry for Isoscopoletin

General Compound Information
BXGC Id	BXGC0003281
Compound Name	Isoscopoletin
Structure
Formula	C10H8O4
InchiKey	SYTYLPHCLSSCOJ-UHFFFAOYSA-N
SMILES	COC1=C(O)C=C2C=CC(=O)OC2=C1
Inchi	InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
IUPAC	6-hydroxy-7-methoxy-2H-chromen-2-one
Molecular Weight	192.17
Pubchem Id	69894
Chembl Id	CHEMBL390320

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

50206008

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	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	-	138000	-	-
reviewed	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	-	>100000	-	-
reviewed	BXGT007827	Arachidonate 15-lipoxygenase	reviewed		ALOX15	-	15100	-	-
reviewed	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	-	>100000	-	-
reviewed	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	-	56200	-	-
reviewed	BXGT012549	Sorbitol dehydrogenase	reviewed	Enzyme	SORD	-	>250000	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	>100000	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	23800	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	14000	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	7370	-	-	-
reviewed	BXGT018499	Carbonic anhydrase 13	reviewed		CA13	5270	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	4140	-	-	-

CHEMBL

CHEMBL390320

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
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	100000	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	23800	nM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	IC50	'='	56200	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'>'	100000	nM
Q00796	BXGT012549	Sorbitol dehydrogenase	reviewed	Enzyme	SORD	IC50	'>'	250000	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	7370	nM
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'='	138000	nM
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	'>'	100000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	14000	nM
P12530	BXGT007827	Arachidonate 15-lipoxygenase	reviewed	-	ALOX15	IC50	'='	15100	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	23778	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	28	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	3	%
Q8N1Q1	BXGT018499	Carbonic anhydrase 13	reviewed	-	CA13	Ki	'='	5270	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	4140	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'>'	30	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00061	Coriander	Coriandrum sativum	Herbs and Spices
BXGF00174	Eggplant	Solanum melongena	Vegetables
BXGF00224	Rambutan	Nephelium lappaceum	Fruits
BXGF00928	Pteris australis	Pteris australis	Others
BXGF01031	Epimedium sagittatum	Epimedium sagittatum	Medicinal Plant
BXGF01097	Arisarum vulgare	Arisarum vulgare	Medicinal Plant
BXGF01133	Incarvillea emodi	Incarvillea emodi	Others
BXGF01153	Aniba duckei	Aniba duckei	Medicinal Plant
BXGF01268	Nama johnstonii	Nama johnstonii	Others
BXGF01290	Dictamnus gymnostylis	Dictamnus gymnostylis	Others
BXGF01303	Amaioua guianensis	Amaioua guianensis	Human Edible Plant
BXGF01473	Siphonostegia chinensis	Siphonostegia chinensis	Medicinal Plant
BXGF01547	Notholaena peninsularis	Notholaena peninsularis	Others
BXGF01584	Pinus sitchensis	Pinus sitchensis	Others
BXGF01615	Mcneillia graminifolia	Mcneillia graminifolia	Others
BXGF01700	Eriogonum nudum	Eriogonum nudum	Others
BXGF01734	Calanthe arisanensis	Calanthe arisanensis	Others
BXGF01774	Veratrum eschscholtzii	Veratrum eschscholtzii	Others
BXGF01875	Santolina rosmarinifolia	Santolina rosmarinifolia	Medicinal Plant
BXGF01878	Lobelia chinensis	Lobelia chinensis	Medicinal Plant
BXGF01927	Reaumuria mucronata	Reaumuria mucronata	Others
BXGF01951	Helianthus divaricatus	Helianthus divaricatus	Others
BXGF01957	Isodon gesneroides	Isodon gesneroides	Medicinal Plant
BXGF01975	Syringa vulgaris	Syringa vulgaris	Medicinal Plant
BXGF01985	Euphorbia balsamifera	Euphorbia balsamifera	Medicinal Plant
BXGF01987	Fraxinus chinensis	Fraxinus chinensis	Medicinal Plant
BXGF02015	Mucuna sloanei	Mucuna sloanei	Human Edible Plant
BXGF02036	Glycyrrhiza pallidiflora	Glycyrrhiza pallidiflora	Medicinal Plant
BXGF02046	Senecio othonniformis	Senecio othonniformis	Others
BXGF02096	Senecio coahuilensis	Senecio coahuilensis	Others
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02115	Eucalyptus sieberiana	Eucalyptus sieberiana	Others
BXGF02123	Viscum angulatum heyne	Viscum angulatum heyne	Others
BXGF02146	Chrysosplenium oppositifolium	Chrysosplenium oppositifolium	Medicinal Plant
BXGF02156	Quercus gilva	Quercus gilva	Others
BXGF02195	Swertia decora	Swertia decora	Others
BXGF02219	Serratula xeranthemoides	Serratula xeranthemoides	Others
BXGF02239	Ochrocarpos odoratus	Ochrocarpos odoratus	Others
BXGF02261	Alphitonia macrocarpa	Alphitonia macrocarpa	Others
BXGF02267	Baccharis santelicis	Baccharis santelicis	Others
BXGF02320	Choisya arizonica	Choisya arizonica	Others
BXGF02344	Erythrina sandwicensis	Erythrina sandwicensis	Others
BXGF02365	Roldana barba-johannis	Roldana barba-johannis	Others
BXGF02369	Sophora davidii	Sophora davidii	Medicinal Plant
BXGF02454	Pittosporum viridiflorum	Pittosporum viridiflorum	Medicinal Plant
BXGF02472	Agathosma betulina	Agathosma betulina	Medicinal Plant
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF02731	Saussurea involucrata	Saussurea involucrata	Medicinal Plant
BXGF02737	Artemisia scoparia	Artemisia scoparia	Medicinal Plant
BXGF02868	Sideritis nutans	Sideritis nutans	Others
BXGF03233	Plinia cauliflora	Plinia cauliflora	Medicinal Plant
BXGF03254	Zanthoxylum integrifoliolum	Zanthoxylum integrifoliolum	Medicinal Plant
BXGF03328	Rothmannia urcelliformis	Rothmannia urcelliformis	Medicinal Plant
BXGF03355	Althaea officinalis	Althaea officinalis	Medicinal Plant
BXGF03457	Hyacinthoides hispanica	Hyacinthoides hispanica	Others
BXGF03484	Ranunculus sceleratus	Ranunculus sceleratus	Medicinal Plant
BXGF03523	Solanum melongena l	Solanum melongena l	Others
BXGF03556	Actinidia chinensis planch	Actinidia chinensis planch	Others
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF04000	Viola philippica	Viola philippica	Others
BXGF04200	Euphorbia hirta	Euphorbia hirta	Medicinal Plant
BXGF04421	Pseudotaxus chienii	Pseudotaxus chienii	Others
BXGF04464	Berchemia floribunda	Berchemia floribunda	Medicinal Plant
BXGF04751	Virola sebifera	Virola sebifera	Human Edible Plant
BXGF04804	Tritomaria quinquedentata	Tritomaria quinquedentata	Others
BXGF04969	Xylopia brasiliensis	Xylopia brasiliensis	Others
BXGF05100	Glossocalyx brevipes	Glossocalyx brevipes	Others
BXGF05112	Fraxinus stylosa	Fraxinus stylosa	Medicinal Plant
BXGF05116	Uncaria guianensis	Uncaria guianensis	Medicinal Plant
BXGF05123	Ilex hainanensis	Ilex hainanensis	Others
BXGF05144	Betula maximowicziana	Betula maximowicziana	Others
BXGF05253	Canarium album	Canarium album	Medicinal Plant
BXGF05257	Morinda citrifolia	Morinda citrifolia	Medicinal Plant
BXGF05317	Melicope sarcococca	Melicope sarcococca	Others
BXGF05379	Nervilia fordii	Nervilia fordii	Human Edible Plant
BXGF05538	Conyza bonariensis	Conyza bonariensis	Medicinal Plant
BXGF05542	Hygrophila polysperma	Hygrophila polysperma	Others
BXGF05547	Morus rubra	Morus rubra	Medicinal Plant
BXGF05655	Clematis angustifolia	Clematis angustifolia	Human Edible Plant
BXGF05748	Chloranthus japonicus	Chloranthus japonicus	Human Edible Plant
BXGF05884	Pseudocedrela kotschyi	Pseudocedrela kotschyi	Medicinal Plant
BXGF05973	Stenomesson miniatum	Stenomesson miniatum	Others
BXGF06090	Arnica sachalinensis	Arnica sachalinensis	Others
BXGF06103	Viola mandshurica	Viola mandshurica	Medicinal Plant
BXGF06166	Polypodiodes formosana	Polypodiodes formosana	Others
BXGF06269	Fraxinus szaboana	Fraxinus szaboana	Medicinal Plant
BXGF06293	Indigofera linnaei	Indigofera linnaei	Medicinal Plant
BXGF06319	Aglaia lawii	Aglaia lawii	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}