acompound

Showing entry for Scoparone

General Compound Information
BXGC Id	BXGC0002051
Compound Name	Scoparone
Structure
Formula	C11H10O4
InchiKey	GUAFOGOEJLSQBT-UHFFFAOYSA-N
SMILES	COC1=C(OC)C=C2C=CC(=O)OC2=C1
Inchi	InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
IUPAC	6,7-dimethoxy-2H-chromen-2-one
Molecular Weight	206.2
Pubchem Id	8417
Chembl Id	CHEMBL325864

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

50361374

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	>500000	-	-

CHEMBL

CHEMBL325864

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
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	'='	6	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'>'	500000	nM
P05091	BXGT006312	Aldehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH2	NI	-	-	-
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	NI	-	-	-
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	NI	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00002	Savoy cabbage	Brassica oleracea var. sabauda	Vegetables
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00019	Tarragon	Artemisia dracunculus	Herbs and Spices
BXGF00053	Lime	Citrus aurantiifolia	Fruits
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00137	Anise	Pimpinella anisum	Herbs and Spices
BXGF00811	Citrus		Fruits
BXGF00918	Urbanodendron verrucosum	Urbanodendron verrucosum	Others
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF00948	Artemisia apiacea	Artemisia apiacea	Medicinal Plant
BXGF00960	Adenia fruticosa	Adenia fruticosa	Others
BXGF00986	Centrosema haitense	Centrosema haitense	Others
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01084	Duranta erecta	Duranta erecta	Medicinal Plant
BXGF01095	Bupleurum salicifolium	Bupleurum salicifolium	Others
BXGF01128	Aster ptarmicoides	Aster ptarmicoides	Medicinal Plant
BXGF01155	Monodora brevipes	Monodora brevipes	Human Edible Plant
BXGF01202	Osteospermum hyoseroides	Osteospermum hyoseroides	Others
BXGF01267	Dendrobium chrysanthum	Dendrobium chrysanthum	Medicinal Plant
BXGF01375	Pinus massoniana	Pinus massoniana	Medicinal Plant
BXGF01441	Hopea brevipetiolaris	Hopea brevipetiolaris	Others
BXGF01445	Acronychia laurifolia	Acronychia laurifolia	Medicinal Plant
BXGF01461	Liriodendron tulipifera	Liriodendron tulipifera	Medicinal Plant
BXGF01494	Sedum cepaea	Sedum cepaea	Medicinal Plant
BXGF01587	Talipariti tiliaceum	Talipariti tiliaceum	Medicinal Plant
BXGF01665	Elsholtzia cristata	Elsholtzia cristata	Medicinal Plant
BXGF01867	Rubus phoenicolasius	Rubus phoenicolasius	Medicinal Plant
BXGF01878	Lobelia chinensis	Lobelia chinensis	Medicinal Plant
BXGF01899	Serratula wolffii	Serratula wolffii	Others
BXGF01901	Uncaria perrottetii	Uncaria perrottetii	Medicinal Plant
BXGF01993	Eriostemon tomentellus	Eriostemon tomentellus	Others
BXGF02003	Scoparia dulcis	Scoparia dulcis	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02244	Galium album	Galium album	Medicinal Plant
BXGF02473	Echinochloa esculenta	Echinochloa esculenta	Human Edible Plant
BXGF02495	Senecio flammeus	Senecio flammeus	Others
BXGF02647	Citrus tamurana	Citrus tamurana	Others
BXGF02726	Clerodendranthus spicatus	Clerodendranthus spicatus	Others
BXGF02735	Anagallis arvensis	Anagallis arvensis	Medicinal Plant
BXGF02737	Artemisia scoparia	Artemisia scoparia	Medicinal Plant
BXGF02746	Zanthoxylum avicennae	Zanthoxylum avicennae	Medicinal Plant
BXGF02906	Garcinia conrauana	Garcinia conrauana	Human Edible Plant
BXGF02933	Hosta sieboldiana	Hosta sieboldiana	Medicinal Plant
BXGF03040	Lophozia floerkei	Lophozia floerkei	Others
BXGF03076	Buxus wallichiana	Buxus wallichiana	Medicinal Plant
BXGF03141	Achyranthes aspera	Achyranthes aspera	Medicinal Plant
BXGF03161	Dendrobium chrysotoxum	Dendrobium chrysotoxum	Medicinal Plant
BXGF03237	Morus macroura	Morus macroura	Medicinal Plant
BXGF03253	Forsythia suspensa	Forsythia suspensa	Medicinal Plant
BXGF03254	Zanthoxylum integrifoliolum	Zanthoxylum integrifoliolum	Medicinal Plant
BXGF03309	Pometia eximia	Pometia eximia	Others
BXGF03330	Sesbania grandiflora	Sesbania grandiflora	Medicinal Plant
BXGF03346	Dendrobium candidum	Dendrobium candidum	Others
BXGF03422	Rhizophora mangle	Rhizophora mangle	Medicinal Plant
BXGF03433	Inula salsoloides	Inula salsoloides	Others
BXGF03434	Raphanus raphanistrum	Raphanus raphanistrum	Medicinal Plant
BXGF03460	Microtropis japonica	Microtropis japonica	Others
BXGF03484	Ranunculus sceleratus	Ranunculus sceleratus	Medicinal Plant
BXGF03510	Phebalium bilobum	Phebalium bilobum	Others
BXGF03533	Neopringlea integrifolia	Neopringlea integrifolia	Others
BXGF03557	Eutrochium purpureum	Eutrochium purpureum	Medicinal Plant
BXGF03561	Saussurea pulchella	Saussurea pulchella	Medicinal Plant
BXGF03632	Dendrobium fimbriatum	Dendrobium fimbriatum	Medicinal Plant
BXGF03648	Schisandra sphaerandra	Schisandra sphaerandra	Medicinal Plant
BXGF03683	Cynanchum viminale	Cynanchum viminale	Medicinal Plant
BXGF03829	Morinda coreia	Morinda coreia	Medicinal Plant
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03914	Jacobaea cannabifolia	Jacobaea cannabifolia	Others
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF03960	Conium maculatum	Conium maculatum	Medicinal Plant
BXGF03979	Aglaia pyramidata	Aglaia pyramidata	Others
BXGF03992	Schrebera swietenoides	Schrebera swietenoides	Human Edible Plant
BXGF04000	Viola philippica	Viola philippica	Others
BXGF04008	Senecio gilliesi	Senecio gilliesi	Others
BXGF04020	Celastrus monospermus	Celastrus monospermus	Others
BXGF04078	Solanum spirale	Solanum spirale	Medicinal Plant
BXGF04101	Agave deserti	Agave deserti	Human Edible Plant
BXGF04107	Plagiomnium undulatum	Plagiomnium undulatum	Others
BXGF04111	Asclepias subulata	Asclepias subulata	Medicinal Plant
BXGF04200	Euphorbia hirta	Euphorbia hirta	Medicinal Plant
BXGF04201	Zanthoxylum simulans	Zanthoxylum simulans	Medicinal Plant
BXGF04271	Artemisia annua	Artemisia annua	Medicinal Plant
BXGF04354	Sophora leachiana	Sophora leachiana	Medicinal Plant
BXGF04366	Veratrum sabadilla	Veratrum sabadilla	Others
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04702	Vernonia lilacina	Vernonia lilacina	Others
BXGF04845	Sarcandra glabra	Sarcandra glabra	Medicinal Plant
BXGF04857	Dendrobium densiflorum	Dendrobium densiflorum	Others
BXGF04929	Passiflora morifolia	Passiflora morifolia	Human Edible Plant
BXGF04933	Rubia wallichiana	Rubia wallichiana	Medicinal Plant
BXGF04935	Artemisia caucasica	Artemisia caucasica	Others
BXGF04943	Pueraria lobata	Pueraria lobata	Medicinal Plant
BXGF04962	Forsythia suspense	Forsythia suspense	Others
BXGF04984	Selaginella labordei	Selaginella labordei	Others
BXGF05011	Artemisia capillaries	Artemisia capillaries	Others
BXGF05035	Salix alba	Salix alba	Medicinal Plant
BXGF05122	Echinopepon bigelovii	Echinopepon bigelovii	Others
BXGF05173	Dendrobium nobile	Dendrobium nobile	Medicinal Plant
BXGF05183	Lanaria lanata	Lanaria lanata	Others
BXGF05186	Hortonia floribunda	Hortonia floribunda	Others
BXGF05206	Corydalis gigantea	Corydalis gigantea	Medicinal Plant
BXGF05247	Dendrobium thyrsiflorum	Dendrobium thyrsiflorum	Medicinal Plant
BXGF05253	Canarium album	Canarium album	Medicinal Plant
BXGF05373	Torricellia tiliifolia	Torricellia tiliifolia	Others
BXGF05386	Aegle marmelos	Aegle marmelos	Medicinal Plant
BXGF05525	Phellodendron japonicum	Phellodendron japonicum	Medicinal Plant
BXGF05554	Hibiscus taiwanensis	Hibiscus taiwanensis	Medicinal Plant
BXGF05561	Drimia fugax	Drimia fugax	Others
BXGF05636	Aralia fargesii	Aralia fargesii	Medicinal Plant
BXGF05647	Betula davurica	Betula davurica	Others
BXGF05697	Dysosma delavayi	Dysosma delavayi	Others
BXGF05882	Mosla japonica	Mosla japonica	Others
BXGF06036	Eleutherococcus gracilistylus	Eleutherococcus gracilistylus	Others
BXGF06038	Eupatorium lindleyanum	Eupatorium lindleyanum	Medicinal Plant
BXGF06069	Dendrobium loddigesii	Dendrobium loddigesii	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	Medicinal Plant
BXGF06079	Pueraria montana var. lobata	Pueraria montana var. lobata	Medicinal Plant
BXGF06103	Viola mandshurica	Viola mandshurica	Medicinal Plant
BXGF06109	Cuscuta reflexa	Cuscuta reflexa	Medicinal Plant
BXGF06132	Millettia rubiginosa	Millettia rubiginosa	Others
BXGF06166	Polypodiodes formosana	Polypodiodes formosana	Others
BXGF06208	Rosa transmorrisonensis	Rosa transmorrisonensis	Others
BXGF06232	Gomphostemma crinitum	Gomphostemma crinitum	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	Medicinal Plant
BXGF06245	Erythroxylum passerinum	Erythroxylum passerinum	Others
BXGF06267	Maharanga bicolor	Maharanga bicolor	Others
BXGF06268	Zanthoxylum nitidum	Zanthoxylum nitidum	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}