acompound

General Compound Information
BXGC Id	BXGC0036211
Compound Name	narirutin
Structure
Formula	C27H32O14
InchiKey	HXTFHSYLYXVTHC-AJHDJQPGSA-N
SMILES	Oc1ccc(cc1)[C@@H]1CC(=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/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
IUPAC	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-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]oxy-2,3-dihydrochromen-4-one
Molecular Weight	580.18
Pubchem Id	442431
Chembl Id	CHEMBL446246

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

n.a

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

CHEMBL

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	22	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	0	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	56500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00346	Horseradish tree	Moringa oleifera	Vegetables
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF00930	Strophanthus eminii	Strophanthus eminii	Medicinal Plant
BXGF01066	Stevia alpina	Stevia alpina	Others
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF01910	Trachelospermum asiaticum	Trachelospermum asiaticum	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02442	Pluchea dioscoridis	Pluchea dioscoridis	Medicinal Plant
BXGF02649	Merendera sobolifera	Merendera sobolifera	Others
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03452	Pyrola rotundifolia	Pyrola rotundifolia	Medicinal Plant
BXGF05255	Asterolasia squamuligera	Asterolasia squamuligera	Others
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05475	Cinnamomum tenuifolium	Cinnamomum tenuifolium	Human Edible Plant
BXGF05516	Psorothamnus spinosus	Psorothamnus spinosus	Others
BXGF05552	Catharanthus roseus	Catharanthus roseus	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF06044	Citrus junos	Citrus junos	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}