acompound

Showing entry for Isoimperatorin

General Compound Information
BXGC Id	BXGC0002789
Compound Name	Isoimperatorin
Structure
Formula	C16H14O4
InchiKey	IGWDEVSBEKYORK-UHFFFAOYSA-N
SMILES	CC(C)=CCOC1=C2C=CC(=O)OC2=CC2=C1C=CO2
Inchi	InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
IUPAC	4-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
Molecular Weight	270.28
Pubchem Id	68081
Chembl Id	CHEMBL448060

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

50242377

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	-	244200	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	-	23100	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	69000	-	-

CHEMBL

CHEMBL448060

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	IC50	'='	244200	nM
P03433	BXGT006070	Polymerase acidic protein	reviewed	-	PA	Inhibition	'='	-	-
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	31622	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	-	-	-
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	69000	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	IC50	'='	23100	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	7079	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	63095	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	50118	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	17782	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	112201	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	70794	nM
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Ki	'='	6000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00053	Lime	Citrus aurantiifolia	Fruits
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01301	Vepris nobilis	Vepris nobilis	Medicinal Plant
BXGF01465	Heracleum maximum	Heracleum maximum	Medicinal Plant
BXGF01580	Changium smyrnioides	Changium smyrnioides	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02100	Convallaria majalis	Convallaria majalis	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02166	Niphogeton ternata	Niphogeton ternata	Others
BXGF02231	Macrococculus pomiferus	Macrococculus pomiferus	Others
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02296	Zanthoxylum spinosum	Zanthoxylum spinosum	Others
BXGF02308	Peucedanum japonicum	Peucedanum japonicum	Medicinal Plant
BXGF02333	Saposhnikovia divaricata	Saposhnikovia divaricata	Medicinal Plant
BXGF02513	Rabdosia angustifolia	Rabdosia angustifolia	Others
BXGF03189	Rhododendron dauricum	Rhododendron dauricum	Medicinal Plant
BXGF03288	Smilax bracteata	Smilax bracteata	Medicinal Plant
BXGF03435	Angelica pubescens	Angelica pubescens	Medicinal Plant
BXGF03664	Tynanthus panurensis	Tynanthus panurensis	Others
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03865	Hansenia forbesii	Hansenia forbesii	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03961	Scutellaria sieberi	Scutellaria sieberi	Others
BXGF04026	Christisonia bicolor	Christisonia bicolor	Others
BXGF04149	Atroxima liberica	Atroxima liberica	Others
BXGF04227	Linum crispum	Linum crispum	Others
BXGF04249	Palafoxia texana	Palafoxia texana	Others
BXGF04341	Sanguisorba officinalis	Sanguisorba officinalis	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04900	Ostericum grosseserratum	Ostericum grosseserratum	Human Edible Plant
BXGF04959	Citrus hystrix	Citrus hystrix	Medicinal Plant
BXGF04960	Angelica talwaniana	Angelica talwaniana	Others
BXGF04995	Aralia continentalis	Aralia continentalis	Medicinal Plant
BXGF05104	Angelica furcijuga	Angelica furcijuga	Medicinal Plant
BXGF05165	Ruta graveolens	Ruta graveolens	Medicinal Plant
BXGF05420	Lawsonia inermis	Lawsonia inermis	Medicinal Plant
BXGF05552	Catharanthus roseus	Catharanthus roseus	Medicinal Plant
BXGF05590	Peucedanum ostruthium	Peucedanum ostruthium	Medicinal Plant
BXGF05687	Angelica officinalis	Angelica officinalis	Medicinal Plant
BXGF05711	Bergenia crassifolia	Bergenia crassifolia	Medicinal Plant
BXGF06003	Pseudocinchona pachyceras	Pseudocinchona pachyceras	Others
BXGF06027	Angelica taiwaniana	Angelica taiwaniana	Medicinal Plant
BXGF06054	Angelica japonica	Angelica japonica	Medicinal Plant
BXGF06080	Licaria brasiliensis	Licaria brasiliensis	Others
BXGF06102	Crotalaria orixensis	Crotalaria orixensis	Human Edible Plant
BXGF06107	Glehnia littoralis	Glehnia littoralis	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}