acompound

Showing entry for Robinetin

General Compound Information
BXGC Id	BXGC0050332
Compound Name	Robinetin
Structure
Formula	C15H10O7
InchiKey	SOEDEYVDCDYMMH-UHFFFAOYSA-N
SMILES	Oc1ccc2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O
Inchi	InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
IUPAC	3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Molecular Weight	302.04
Pubchem Id	5281692
Chembl Id	CHEMBL170405

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

50033767

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	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	5000	-	-	-
reviewed	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed		XDH	-	4300	-	-
reviewed	BXGT009301	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	reviewed	Enzyme	CD38	-	37900	-	-

CHEMBL

CHEMBL170405

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
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	1600	nM
P28907	BXGT009301	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	reviewed	Enzyme	CD38	IC50	'='	37900	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	IC50	'='	4300	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	1122	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	39810	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	89125	nM
P46063	BXGT010501	ATP-dependent DNA helicase Q1	reviewed	Enzyme	RECQL	Potency	'='	4466	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	82	%
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	22387	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	22387	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	281	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	19952	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	19952	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	237	nM
P33527	BXGT009728	Multidrug resistance-associated protein 1	reviewed	Transporter	ABCC1	Ki	'='	5000	nM
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	IC50	'='	5900	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-7	%
Q86831	BXGT017584	Polyprotein II	unreviewed	-		Inhibition	'='	87	%
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	281	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	11193	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	39810	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	15	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01286	Artemisia incanescens	Artemisia incanescens	Others
BXGF01332	Perriera orientalis	Perriera orientalis	Others
BXGF01652	Ichthyothere latifolia	Ichthyothere latifolia	Others
BXGF01676	Scrophularia umbrosa	Scrophularia umbrosa	Medicinal Plant
BXGF01742	Solanum sublobatum	Solanum sublobatum	Others
BXGF01830	Swertia pseudochinensis	Swertia pseudochinensis	Medicinal Plant
BXGF01950	Senecio rivularis	Senecio rivularis	Medicinal Plant
BXGF02317	Krameria parvifolia	Krameria parvifolia	Others
BXGF02372	Aesculus turbinata	Aesculus turbinata	Medicinal Plant
BXGF02390	Argyreia speciosa	Argyreia speciosa	Medicinal Plant
BXGF02465	Vernonia profuga	Vernonia profuga	Others
BXGF02578	Artocarpus styracifolius	Artocarpus styracifolius	Human Edible Plant
BXGF02779	Swertia chinensis	Swertia chinensis	Medicinal Plant
BXGF02821	Forsythia giraldiana	Forsythia giraldiana	Others
BXGF02892	Dorstenia mannii	Dorstenia mannii	Medicinal Plant
BXGF03546	Pseudofumaria lutea	Pseudofumaria lutea	Others
BXGF03560	Alnus alnobetula	Alnus alnobetula	Others
BXGF03973	Cyperus papyrus	Cyperus papyrus	Medicinal Plant
BXGF04033	Sabal blackburniana	Sabal blackburniana	Others
BXGF04238	Capsella bursa-pastoris	Capsella bursa-pastoris	Medicinal Plant
BXGF04302	Lachnophyllum gossypinum	Lachnophyllum gossypinum	Others
BXGF04451	Pteris cretica var. nervosa	Pteris cretica var. nervosa	Garden Plant
BXGF04965	Dimorphotheca aurantiaca	Dimorphotheca aurantiaca	Others
BXGF05127	Robinia pseudoacacia	Robinia pseudoacacia	Medicinal Plant
BXGF05452	Othonna dentata	Othonna dentata	Others
BXGF05583	Acacia mearnsii	Acacia mearnsii	Medicinal Plant
BXGF05684	Neorautanenia ficifolia	Neorautanenia ficifolia	Others
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF06064	Strychnos erichsonii	Strychnos erichsonii	Human Edible Plant
BXGF06131	Fagus grandifolia	Fagus grandifolia	Medicinal Plant
BXGF06204	Mitragyna inermis	Mitragyna inermis	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}