acompound

Showing entry for Diosmin

General Compound Information
BXGC Id	BXGC0027536
Compound Name	Diosmin
Structure
Formula	C28H32O15
InchiKey	GZSOSUNBTXMUFQ-YFAPSIMESA-N
SMILES	COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Inchi	InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
IUPAC	5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular Weight	608.17
Pubchem Id	5281613
Chembl Id	CHEMBL231884

Targets of Information Source

DrugBank

DB08995

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
P35869	BXGT009877	Aryl hydrocarbon receptor	reviewed	Transcription factor	AHR	approved; investigational	agonist

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

153267

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	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	-	9140	-	-

CHEMBL

CHEMBL231884

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
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	79432	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	562	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	11220	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	11220	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	39810	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	67	%
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	0	%
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	56234	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	93	%
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Inhibition	-	-	-
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	19952	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	18887	nM
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	25118	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	19952	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	5802	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	3013	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	2818	nM
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	79432	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	7	%
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	50118	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	9	%
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	35481	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	31622	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF01716	Mentha canadensis	Mentha canadensis	Medicinal Plant
BXGF01878	Lobelia chinensis	Lobelia chinensis	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02317	Krameria parvifolia	Krameria parvifolia	Others
BXGF02357	Euodia bodinieri	Euodia bodinieri	Others
BXGF02372	Aesculus turbinata	Aesculus turbinata	Medicinal Plant
BXGF02390	Argyreia speciosa	Argyreia speciosa	Medicinal Plant
BXGF02465	Vernonia profuga	Vernonia profuga	Others
BXGF02527	Nicotiana tabacum	Nicotiana tabacum	Medicinal Plant
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
BXGF02978	Tetradium ruticarpum	Tetradium ruticarpum	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03560	Alnus alnobetula	Alnus alnobetula	Others
BXGF05041	Desmodium styracifolium	Desmodium styracifolium	Medicinal Plant
BXGF05356	Euodia officinalis	Euodia officinalis	Others
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF06002	Euodia ruticarpa	Euodia ruticarpa	Others
BXGF06268	Zanthoxylum nitidum	Zanthoxylum nitidum	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}