acompound

Showing entry for Isopimpinellin

General Compound Information
BXGC Id	BXGC0006259
Compound Name	Isopimpinellin
Structure
Formula	C13H10O5
InchiKey	DFMAXQKDIGCMTL-UHFFFAOYSA-N
SMILES	COC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2
Inchi	InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
IUPAC	4,9-dimethoxy-7H-furo[3,2-g]chromen-7-one
Molecular Weight	246.22
Pubchem Id	68079
Chembl Id	CHEMBL140796

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

50361386

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

CHEMBL140796

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
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	17782	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	39810	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	5623	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	84	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'>'	500000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	1995	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	7307	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	'='	12	%
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	15848	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	IC50	'='	40	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	EC50	'='	13800	nM
P03433	BXGT006070	Polymerase acidic protein	reviewed	-	PA	Inhibition	'='	-	-
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	IC50	'='	6380	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	29	%
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Ki	'='	11000	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	28183	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Inhibition	'='	0	%
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	29092	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'>'	10000	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Inhibition	'='	0	%
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Inhibition	'='	0	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	71	%
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Inhibition	'='	55	%
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	IC50	'>'	10000	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Inhibition	'='	62	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	IC50	'='	20	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Inhibition	'='	0	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	91	%
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Ki	'='	28	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'>'	10000	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	IC50	'>'	10000	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Ki	'='	12	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00001	Angelica	Angelica keiskei	Herbs and Spices
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00053	Lime	Citrus aurantiifolia	Fruits
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00137	Anise	Pimpinella anisum	Herbs and Spices
BXGF00211	Celery stalks	Apium graveolens var. dulce	Vegetables
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00825	Root vegetables		Vegetables
BXGF00969	Pinus krempfii	Pinus krempfii	Others
BXGF01041	Zanthoxylum echinocarpum	Zanthoxylum echinocarpum	Medicinal Plant
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF01417	Trixis inula	Trixis inula	Others
BXGF01442	Torilis japonica	Torilis japonica	Medicinal Plant
BXGF01462	Ambrosia arborescens	Ambrosia arborescens	Others
BXGF01465	Heracleum maximum	Heracleum maximum	Medicinal Plant
BXGF01551	Sauropus quadrangularis	Sauropus quadrangularis	Medicinal Plant
BXGF01580	Changium smyrnioides	Changium smyrnioides	Medicinal Plant
BXGF02030	Angelica decursiva	Angelica decursiva	Medicinal Plant
BXGF02065	Cnidium monnieri	Cnidium monnieri	Medicinal Plant
BXGF02070	Espeletiopsis purpurascens	Espeletiopsis purpurascens	Others
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02108	Heracleum mantegazzianum	Heracleum mantegazzianum	Medicinal Plant
BXGF02166	Niphogeton ternata	Niphogeton ternata	Others
BXGF02231	Macrococculus pomiferus	Macrococculus pomiferus	Others
BXGF02296	Zanthoxylum spinosum	Zanthoxylum spinosum	Others
BXGF02333	Saposhnikovia divaricata	Saposhnikovia divaricata	Medicinal Plant
BXGF02463	Selaginella doederleinii hieron	Selaginella doederleinii hieron	Others
BXGF02480	Amomum reticulatum	Amomum reticulatum	Others
BXGF02640	Spilanthes ocymifolia	Spilanthes ocymifolia	Others
BXGF02659	Vernonia echitifolia	Vernonia echitifolia	Others
BXGF02778	Eucalyptus exserta	Eucalyptus exserta	Others
BXGF02850	Inga paterno	Inga paterno	Human Edible Plant
BXGF02942	Arnica foliosa	Arnica foliosa	Others
BXGF02969	Plectranthus hereroensis	Plectranthus hereroensis	Others
BXGF03107	Garcinia parvifolia	Garcinia parvifolia	Human Edible Plant
BXGF03435	Angelica pubescens	Angelica pubescens	Medicinal Plant
BXGF03639	Caralluma russeliana	Caralluma russeliana	Others
BXGF03657	Dalbergia monetaria	Dalbergia monetaria	Medicinal Plant
BXGF03671	Leonurus japonicus	Leonurus japonicus	Medicinal Plant
BXGF03676	Ursinia anthemoides	Ursinia anthemoides	Others
BXGF03682	Imperata cylindrica	Imperata cylindrica	Medicinal Plant
BXGF03716	Polypodium aureum	Polypodium aureum	Others
BXGF03733	Alpinia officinarum	Alpinia officinarum	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03756	Casimiroa edulis	Casimiroa edulis	Medicinal Plant
BXGF03792	Helianthus californicus	Helianthus californicus	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03930	Heracleum yungningense	Heracleum yungningense	Medicinal Plant
BXGF04396	Dysosma pleiantha	Dysosma pleiantha	Others
BXGF04570	Schenkia spicata	Schenkia spicata	Medicinal Plant
BXGF04677	Cirsium canum	Cirsium canum	Others
BXGF04776	Thamnosma rhodesica	Thamnosma rhodesica	Others
BXGF05165	Ruta graveolens	Ruta graveolens	Medicinal Plant
BXGF05260	Peucedanum praeruptorum	Peucedanum praeruptorum	Medicinal Plant
BXGF05540	Phegopteris subaurita	Phegopteris subaurita	Others
BXGF05593	Ajania fastigiata	Ajania fastigiata	Others
BXGF05665	Quercus sessilis	Quercus sessilis	Others
BXGF05672	Podocarpus henckelii	Podocarpus henckelii	Others
BXGF05778	Stellera chamaejasme	Stellera chamaejasme	Medicinal Plant
BXGF05805	Toddalia asiatica	Toddalia asiatica	Medicinal Plant
BXGF05827	Spiraea prunifolia	Spiraea prunifolia	Medicinal Plant
BXGF05850	Antidesma membranaceum	Antidesma membranaceum	Medicinal Plant
BXGF05894	Vitex agnus-castus	Vitex agnus-castus	Medicinal Plant
BXGF05987	Opuntia vulgaris	Opuntia vulgaris	Medicinal Plant
BXGF06101	Kniphofia tuckii	Kniphofia tuckii	Others
BXGF06107	Glehnia littoralis	Glehnia littoralis	Medicinal Plant
BXGF06128	Cnidium monieri	Cnidium monieri	Others
BXGF06144	Piper hancei	Piper hancei	Medicinal Plant
BXGF06148	Patrinia villosa	Patrinia villosa	Medicinal Plant
BXGF06197	Acanthus montanus	Acanthus montanus	Medicinal Plant
BXGF06208	Rosa transmorrisonensis	Rosa transmorrisonensis	Others
BXGF06248	Annona haematantha	Annona haematantha	Others
BXGF06268	Zanthoxylum nitidum	Zanthoxylum nitidum	Medicinal Plant
BXGF06325	Salvia lasiantha	Salvia lasiantha	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}