acompound

Showing entry for Liquirtigenin

General Compound Information
BXGC Id	BXGC0018882
Compound Name	Liquirtigenin
Structure
Formula	C15H12O4
InchiKey	FURUXTVZLHCCNA-AWEZNQCLSA-N
SMILES	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2)O
Inchi	InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
IUPAC	(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular Weight	256.07
Pubchem Id	114829
Chembl Id	CHEMBL252642

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

DFV

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
P28012	BXGT009221	Chalcone--flavonone isomerase 1	reviewed	CHI1	-	-	-	-	-

Binding DB

50241408

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	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed		XDH	-	11300	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	>100000	-	-
reviewed	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	2100	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	>60000	-	-
reviewed	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	340	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	>50000	-	-

CHEMBL

CHEMBL252642

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
P33437	BXGT009725	Collagenase	reviewed	-	prtC	Inhibition	'='	21	%
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Activity	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	100	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	60000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	8330	nM
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	Activity	'='	87	%
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	2100	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	IC50	'='	11300	nM
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	Activity	'='	95	%
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	340	nM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	Inhibition	'='	39	%
P33437	BXGT009725	Collagenase	reviewed	-	prtC	Activity	'='	79	%
P33437	BXGT009725	Collagenase	reviewed	-	prtC	Activity	'='	82	%
P33437	BXGT009725	Collagenase	reviewed	-	prtC	Activity	'='	83	%
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Activity	'='	2	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	100000	nM
P05412	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	Inhibition	'='	20	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	-	-	-
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Inhibition	'='	4	%
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2070	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	50000	nM
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Inhibition	'='	38	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	36	%
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	1	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'<'	50	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	9	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	-	-	-
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Activity	-	-	-
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	FC	'='	1	-
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	19	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00380	White mustard	Sinapis alba	Herbs and Spices
BXGF00857	Mitracarpus scaber	Mitracarpus scaber	Others
BXGF00861	Abies pinsapo var. marocana	Abies pinsapo var. marocana	Others
BXGF00869	Teucrium betonicum	Teucrium betonicum	Others
BXGF01632	Euphrasia genargentea	Euphrasia genargentea	Others
BXGF01666	Helichrysum asperum	Helichrysum asperum	Medicinal Plant
BXGF01768	Dalbergia parviflora	Dalbergia parviflora	Medicinal Plant
BXGF01835	Dioscorea nipponica	Dioscorea nipponica	Medicinal Plant
BXGF01892	Xanthorhiza simplicissima	Xanthorhiza simplicissima	Medicinal Plant
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF02626	Dalbergia odorifera	Dalbergia odorifera	Medicinal Plant
BXGF02651	Searsia leptodictya	Searsia leptodictya	Human Edible Plant
BXGF02696	Lophopetalum toxicum	Lophopetalum toxicum	Others
BXGF02963	Jasminum sambac	Jasminum sambac	Medicinal Plant
BXGF03032	Anthoceros punctatus	Anthoceros punctatus	Others
BXGF03231	Dactylorhiza viridis	Dactylorhiza viridis	Others
BXGF03266	Elaeocarpus sphaericus	Elaeocarpus sphaericus	Human Edible Plant
BXGF03271	Pterolobium hexapetalum	Pterolobium hexapetalum	Medicinal Plant
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF03372	Lupinus holosericeus	Lupinus holosericeus	Others
BXGF03385	Cinchona officinalis	Cinchona officinalis	Medicinal Plant
BXGF03409	Datura wrightii	Datura wrightii	Others
BXGF03410	Polygonatum cyrtonema	Polygonatum cyrtonema	Medicinal Plant
BXGF03585	Angelica hirsutiflora	Angelica hirsutiflora	Others
BXGF03595	Clausena suffruticosa	Clausena suffruticosa	Others
BXGF03721	Lysimachia christinae	Lysimachia christinae	Medicinal Plant
BXGF03813	Diplopterygium glaucum	Diplopterygium glaucum	Others
BXGF03846	Platymiscium floribundum	Platymiscium floribundum	Others
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04263	Glycine soja	Glycine soja	Medicinal Plant
BXGF04296	Maytenus chuchuhuasha	Maytenus chuchuhuasha	Others
BXGF04301	Dorstenia dinklagei	Dorstenia dinklagei	Others
BXGF04328	Croton zehntneri	Croton zehntneri	Others
BXGF04458	Oxytropis falcata	Oxytropis falcata	Others
BXGF04772	Sapium haematospermum	Sapium haematospermum	Medicinal Plant
BXGF04825	Polygonatum kingianum	Polygonatum kingianum	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF05009	Solanum lanceolatum	Solanum lanceolatum	Medicinal Plant
BXGF05041	Desmodium styracifolium	Desmodium styracifolium	Medicinal Plant
BXGF05067	Bryonia alba	Bryonia alba	Medicinal Plant
BXGF05141	Viburnum erubescens	Viburnum erubescens	Medicinal Plant
BXGF05293	Remirea maritima	Remirea maritima	Others
BXGF05364	Arnica mollis	Arnica mollis	Others
BXGF05369	Daemonorops draco	Daemonorops draco	Medicinal Plant
BXGF05498	Croton gratissimus	Croton gratissimus	Medicinal Plant
BXGF05559	Wikstroemia viridiflora	Wikstroemia viridiflora	Medicinal Plant
BXGF05564	Polygonatum falcatum	Polygonatum falcatum	Medicinal Plant
BXGF05584	Brassica carinata	Brassica carinata	Medicinal Plant
BXGF05631	Turpinia arguta	Turpinia arguta	Others
BXGF05722	Hedysarum polybotrys	Hedysarum polybotrys	Medicinal Plant
BXGF05725	Ranunculus asiaticus	Ranunculus asiaticus	Others
BXGF05736	Eurycoma harmandiana	Eurycoma harmandiana	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	Medicinal Plant
BXGF05840	Eucalyptus resinifera	Eucalyptus resinifera	Medicinal Plant
BXGF05990	Carpha glomerata	Carpha glomerata	Others
BXGF06093	Cyanostegia angustifolia	Cyanostegia angustifolia	Others
BXGF06149	Orthosiphon spicatus	Orthosiphon spicatus	Medicinal Plant
BXGF06254	Lysimachia fordiana	Lysimachia fordiana	Others
BXGF06278	Ampelocera edentula	Ampelocera edentula	Others
BXGF06304	Ixeris debilis	Ixeris debilis	Others
BXGF06312	Polygonatum sibiricum	Polygonatum sibiricum	Medicinal Plant
BXGF06329	Abies excelsa	Abies excelsa	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}