acompound

Showing entry for Orobol

General Compound Information
BXGC Id	BXGC0043315
Compound Name	Orobol
Structure
Formula	C15H10O6
InchiKey	IOYHCQBYQJQBSK-UHFFFAOYSA-N
SMILES	Oc1cc(O)c2c(c1)occ(c2=O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H
IUPAC	3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular Weight	286.05
Pubchem Id	5281801
Chembl Id	CHEMBL241609

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

50025463

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	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	-	3	-	-

CHEMBL

CHEMBL241609

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
Q13332	BXGT013342	Receptor-type tyrosine-protein phosphatase S	reviewed	Enzyme	PTPRS	Inhibition	'='	-14	%
P00533	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	IC50	'='	0	ug.mL-1
Q13332	BXGT013342	Receptor-type tyrosine-protein phosphatase S	reviewed	Enzyme	PTPRS	IC50	-	-	-
P00533	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	IC50	'='	3	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00857	Mitracarpus scaber	Mitracarpus scaber	Others
BXGF00873	Polyalthia barnesii	Polyalthia barnesii	Others
BXGF00957	Allagopappus viscosissimus	Allagopappus viscosissimus	Others
BXGF01030	Striga lutea	Striga lutea	Medicinal Plant
BXGF01113	Crotalaria medicaginea	Crotalaria medicaginea	Medicinal Plant
BXGF01173	Astragalus spinosus	Astragalus spinosus	Others
BXGF01235	Swertia decussata	Swertia decussata	Medicinal Plant
BXGF01269	Peltogyne pubescens	Peltogyne pubescens	Others
BXGF01294	Eria alba	Eria alba	Others
BXGF01321	Ranunculus peltatus	Ranunculus peltatus	Others
BXGF01348	Sidastrum burrerense	Sidastrum burrerense	Others
BXGF01349	Hydrangea serrata	Hydrangea serrata	Medicinal Plant
BXGF01365	Psychotria st	Psychotria st	Others
BXGF01437	Lunularia cruciata	Lunularia cruciata	Others
BXGF01983	Yucca recurvifolia	Yucca recurvifolia	Human Edible Plant
BXGF02526	Santalum album	Santalum album	Medicinal Plant
BXGF02626	Dalbergia odorifera	Dalbergia odorifera	Medicinal Plant
BXGF02687	Papaver tatricum	Papaver tatricum	Others
BXGF03643	Cytisus scoparius	Cytisus scoparius	Medicinal Plant
BXGF03731	Rosulabryum capillare	Rosulabryum capillare	Others
BXGF03774	Citrus rugulosa	Citrus rugulosa	Others
BXGF04060	Aglaia australiensis	Aglaia australiensis	Others
BXGF04150	Erycibe expansa	Erycibe expansa	Medicinal Plant
BXGF04176	Fritillaria stenanthera	Fritillaria stenanthera	Others
BXGF04274	Macadamia ternifolia	Macadamia ternifolia	Medicinal Plant
BXGF04967	Cudrania tricuspidata	Cudrania tricuspidata	Medicinal Plant
BXGF05041	Desmodium styracifolium	Desmodium styracifolium	Medicinal Plant
BXGF05050	Diplacus longiflorus	Diplacus longiflorus	Others
BXGF05129	Achillea pseudopectinata	Achillea pseudopectinata	Others
BXGF05328	Syzygium nervosum	Syzygium nervosum	Human Edible Plant
BXGF05366	Lepidosperma ustulatum	Lepidosperma ustulatum	Others
BXGF05438	Calocephalus citreus	Calocephalus citreus	Others
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05580	Genista pichisermolliana	Genista pichisermolliana	Others
BXGF05606	Eria floribunda	Eria floribunda	Others
BXGF05653	Kopsia teoi	Kopsia teoi	Others
BXGF05678	Dunalia solanacea	Dunalia solanacea	Others
BXGF05761	Berberis floribunda	Berberis floribunda	Medicinal Plant
BXGF05786	Rubus lambertianus	Rubus lambertianus	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	Medicinal Plant
BXGF05820	Jamesoniella colorata	Jamesoniella colorata	Medicinal Plant
BXGF05875	Fumaria micrantha	Fumaria micrantha	Others
BXGF05935	Pterodon emarginatus	Pterodon emarginatus	Others
BXGF05948	Berlinia tomentosa	Berlinia tomentosa	Others
BXGF06014	Cymodocea nodosa	Cymodocea nodosa	Others
BXGF06070	Perilla frutescens	Perilla frutescens	Medicinal Plant
BXGF06077	Bonamia spectabilis	Bonamia spectabilis	Others
BXGF06084	Brickellia cylindracea	Brickellia cylindracea	Others
BXGF06129	Atuna racemosa	Atuna racemosa	Human Edible Plant
BXGF06180	Astragalus pycnanthus	Astragalus pycnanthus	Others
BXGF06223	Pulsatilla campanella	Pulsatilla campanella	Medicinal Plant
BXGF06225	Stevia paniculata	Stevia paniculata	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}