acompound

Showing entry for Xanthoxyletin

General Compound Information
BXGC Id	BXGC0005852
Compound Name	Xanthoxyletin
Structure
Formula	C15H14O4
InchiKey	JSJIIHRNDMLJGK-UHFFFAOYSA-N
SMILES	COC1=C2C=CC(=O)OC2=CC2=C1C=CC(C)(C)O2
Inchi	InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
IUPAC	5-methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one
Molecular Weight	258.27
Pubchem Id	66548
Chembl Id	CHEMBL501358

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

50428432

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	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	>100000	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	7710	-	-	-
reviewed	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	6270	-	-	-
reviewed	BXGT018499	Carbonic anhydrase 13	reviewed		CA13	3150	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	960	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	740	-	-	-

CHEMBL

CHEMBL501358

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
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	960	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	-	16944	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	14125	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	31622	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	740	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	1412	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	23099	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	11582	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	100000	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	12589	nM
P17405	BXGT008304	Sphingomyelin phosphodiesterase	reviewed	Enzyme	SMPD1	Potency	-	25118	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	6270	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	14125	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	100000	nM
Q8N1Q1	BXGT018499	Carbonic anhydrase 13	reviewed	-	CA13	Ki	'='	3150	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	12589	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	7710	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	7307	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	25929	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00346	Horseradish tree	Moringa oleifera	Vegetables
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00930	Strophanthus eminii	Strophanthus eminii	Medicinal Plant
BXGF01066	Stevia alpina	Stevia alpina	Others
BXGF01233	Citrus hassaku	Citrus hassaku	Others
BXGF01470	Pleurospermum rivulorum	Pleurospermum rivulorum	Medicinal Plant
BXGF01654	Plumbago zeylanica	Plumbago zeylanica	Medicinal Plant
BXGF01901	Uncaria perrottetii	Uncaria perrottetii	Medicinal Plant
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF02065	Cnidium monnieri	Cnidium monnieri	Medicinal Plant
BXGF02442	Pluchea dioscoridis	Pluchea dioscoridis	Medicinal Plant
BXGF02579	Peucedanum rubricaule	Peucedanum rubricaule	Medicinal Plant
BXGF02592	Ilex affinis	Ilex affinis	Human Edible Plant
BXGF02647	Citrus tamurana	Citrus tamurana	Others
BXGF02667	Anaxagorea clavata	Anaxagorea clavata	Others
BXGF02735	Anagallis arvensis	Anagallis arvensis	Medicinal Plant
BXGF02861	Clausena excavata	Clausena excavata	Medicinal Plant
BXGF03144	Stenostomum lucidum	Stenostomum lucidum	Others
BXGF03147	Beyeria brevifolia	Beyeria brevifolia	Others
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03366	Clausena harmandiana	Clausena harmandiana	Medicinal Plant
BXGF03421	Kaempferia pulchra	Kaempferia pulchra	Medicinal Plant
BXGF03452	Pyrola rotundifolia	Pyrola rotundifolia	Medicinal Plant
BXGF03534	Drosera peltata	Drosera peltata	Medicinal Plant
BXGF03712	Arnica nevadensis	Arnica nevadensis	Others
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03745	Odixia angusta	Odixia angusta	Others
BXGF03760	Prunus laurocerasus	Prunus laurocerasus	Medicinal Plant
BXGF03812	Ficus formosana	Ficus formosana	Human Edible Plant
BXGF03843	Dipterocarpus alatus	Dipterocarpus alatus	Medicinal Plant
BXGF03864	Echinops amplexicaulis	Echinops amplexicaulis	Medicinal Plant
BXGF03873	Quercus aegilops	Quercus aegilops	Medicinal Plant
BXGF03883	Chloranthus tianmushanensis	Chloranthus tianmushanensis	Others
BXGF03897	Prosopis glandulosa	Prosopis glandulosa	Human Edible Plant
BXGF03916	Aria pallescens	Aria pallescens	Others
BXGF03926	Simira eliezeriana	Simira eliezeriana	Others
BXGF03939	Senecio squalidus	Senecio squalidus	Medicinal Plant
BXGF03951	Araujia sericifera	Araujia sericifera	Medicinal Plant
BXGF03966	Artemisia monogyna	Artemisia monogyna	Others
BXGF03986	Epaltes gariepina	Epaltes gariepina	Others
BXGF03991	Seriphidium cinum	Seriphidium cinum	Medicinal Plant
BXGF04002	Dendrosenecio kilimanjari	Dendrosenecio kilimanjari	Others
BXGF04009	Isodon kameba	Isodon kameba	Medicinal Plant
BXGF04016	Pterocarpus grandiflorus	Pterocarpus grandiflorus	Others
BXGF04030	Chromolaena pulchella	Chromolaena pulchella	Others
BXGF04041	Bursaria spinosa	Bursaria spinosa	Human Edible Plant
BXGF04054	Taxodium mucronatum	Taxodium mucronatum	Medicinal Plant
BXGF04066	Gardenia fosbergii	Gardenia fosbergii	Others
BXGF04073	Vitex madiensis	Vitex madiensis	Medicinal Plant
BXGF04144	Agnorhiza bolanderi	Agnorhiza bolanderi	Others
BXGF04708	Sesbania punicea	Sesbania punicea	Others
BXGF04791	Zanthoxylum americanum	Zanthoxylum americanum	Medicinal Plant
BXGF05255	Asterolasia squamuligera	Asterolasia squamuligera	Others
BXGF05475	Cinnamomum tenuifolium	Cinnamomum tenuifolium	Human Edible Plant
BXGF05552	Catharanthus roseus	Catharanthus roseus	Medicinal Plant
BXGF05603	Angelica archangelica	Angelica archangelica	Medicinal Plant
BXGF05704	Securidaca inappendiculata	Securidaca inappendiculata	Medicinal Plant
BXGF05843	Pteris prolifera	Pteris prolifera	Others
BXGF06027	Angelica taiwaniana	Angelica taiwaniana	Medicinal Plant
BXGF06044	Citrus junos	Citrus junos	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}