acompound

Showing entry for Arbutin

General Compound Information
BXGC Id	BXGC0018149
Compound Name	Arbutin
Structure
Formula	C12H16O7
InchiKey	BJRNKVDFDLYUGJ-RMPHRYRLSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
IUPAC	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
Molecular Weight	272.09
Pubchem Id	440936
Chembl Id	CHEMBL232202

Targets of Information Source

DrugBank

DB11217

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
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	approved	inhibitor

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

50219502

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	BXGT012511	Polyphenol oxidase 1	reviewed		PPO1	-	320000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	24000000	-	-
reviewed	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	-	230000	-	-
reviewed	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	-	30260	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	10400000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	7300000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	100000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	>1000000	-	-
reviewed	BXGT007687	Tyrosinase	reviewed		Tyr	-	30260	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	210000	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	201200	-	-
reviewed	BXGT007687	Tyrosinase	reviewed		Tyr	-	1550000	-	-
reviewed	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	-	32000000	-	-

CHEMBL

CHEMBL232202

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	7300000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio IC50	'='	7	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	5300000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Ratio IC50	'='	8	-
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	201200	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	9	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<'	30	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	30	%
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	IC50	'='	230000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	24000000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	33	%
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	IC50	'='	30260	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	0	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	0	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	ID50	'='	6	mM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	2300	ppm
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	Inhibition	'='	-1	%
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	30	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	194500	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	1	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'>'	1000000	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	100	nM
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	-	-	-
P14679	BXGT008039	Tyrosinase	reviewed	Enzyme	TYR	IC50	'='	32000000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	10	%
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	IC50	'='	30260	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Activity	-	-	-
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	IC50	'='	1550000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	210000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	5	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	10400000	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	6	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	103	%
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	2310	nM
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	146	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	32	%
P11344	BXGT007687	Tyrosinase	reviewed	-	Tyr	Inhibition	'='	51	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	146000	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	113	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00021	Asparagus	Asparagus officinalis	Vegetables
BXGF00285	Breadfruit	Artocarpus altilis	Fruits
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00557	Black salsify	Scorzonera hispanica	Vegetables
BXGF00938	Dendrophthoe falcata	Dendrophthoe falcata	Medicinal Plant
BXGF00964	Centaurea solstitialis	Centaurea solstitialis	Medicinal Plant
BXGF01017	Xanthorrhoea resinosa	Xanthorrhoea resinosa	Medicinal Plant
BXGF01023	Salvia cyanescens	Salvia cyanescens	Others
BXGF01035	Maackia tashiroi	Maackia tashiroi	Others
BXGF01049	Ocimum pilosum	Ocimum pilosum	Medicinal Plant
BXGF01119	Trapa japonica	Trapa japonica	Medicinal Plant
BXGF01261	Ambrosia hispida	Ambrosia hispida	Medicinal Plant
BXGF01291	Rhododendron ungerni	Rhododendron ungerni	Others
BXGF01292	Dorstenia barteri	Dorstenia barteri	Medicinal Plant
BXGF01330	Lagochilus leiacanthus	Lagochilus leiacanthus	Others
BXGF01339	Diospyros peregrina	Diospyros peregrina	Medicinal Plant
BXGF01363	Diospyros elliptifolia	Diospyros elliptifolia	Others
BXGF01373	Myroxylon peruiferum	Myroxylon peruiferum	Others
BXGF01414	Strychnos tricalysioides	Strychnos tricalysioides	Others
BXGF01463	Piptostigma fugax	Piptostigma fugax	Others
BXGF01525	Diospyros abyssinica	Diospyros abyssinica	Medicinal Plant
BXGF01560	Chara ceratophylla	Chara ceratophylla	Others
BXGF01572	Cratystylis conocephala	Cratystylis conocephala	Others
BXGF01645	Beaucarnea recurvata	Beaucarnea recurvata	Others
BXGF01675	Cosmos diversifolius	Cosmos diversifolius	Others
BXGF01737	Trichodesma incanum	Trichodesma incanum	Others
BXGF01780	Selaginella tamariscina	Selaginella tamariscina	Medicinal Plant
BXGF01806	Rhododendron mucronatum	Rhododendron mucronatum	Medicinal Plant
BXGF01829	Onobrychis viciifolia	Onobrychis viciifolia	Medicinal Plant
BXGF01905	Lonicera tatarica var. morrowii	Lonicera tatarica var. morrowii	Others
BXGF02163	Inga velutina	Inga velutina	Human Edible Plant
BXGF02235	Curcuma caesia	Curcuma caesia	Medicinal Plant
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF03021	Turnera diffusa	Turnera diffusa	Medicinal Plant
BXGF03084	Cathormion altissimum	Cathormion altissimum	Others
BXGF03104	Urochloa decumbens	Urochloa decumbens	Others
BXGF03189	Rhododendron dauricum	Rhododendron dauricum	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF03872	Lycopodium japonicum	Lycopodium japonicum	Medicinal Plant
BXGF03875	Erythrophleum couminga	Erythrophleum couminga	Medicinal Plant
BXGF03921	Agave xylonacantha	Agave xylonacantha	Others
BXGF04490	Stephania hernandifolia	Stephania hernandifolia	Medicinal Plant
BXGF04541	Calophyllum inophyllum	Calophyllum inophyllum	Medicinal Plant
BXGF04643	Selaginella pulvinata	Selaginella pulvinata	Medicinal Plant
BXGF04723	Afrocarpus gracilior	Afrocarpus gracilior	Others
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF04954	Erythrina pallida	Erythrina pallida	Others
BXGF04994	Anthemis cretica	Anthemis cretica	Medicinal Plant
BXGF05331	Centaurea arenaria	Centaurea arenaria	Others
BXGF05451	Eucalyptus australiana	Eucalyptus australiana	Others
BXGF05638	Gutenbergia cordifolia	Gutenbergia cordifolia	Medicinal Plant
BXGF05698	Ulva conglobata	Ulva conglobata	Medicinal Plant
BXGF05713	Antiphiona pinnatisecta	Antiphiona pinnatisecta	Others
BXGF05750	Astragalus dissectus	Astragalus dissectus	Others
BXGF05763	Garcinia subelliptica	Garcinia subelliptica	Others
BXGF05870	Phelline lucida	Phelline lucida	Others
BXGF05896	Lactuca serriola	Lactuca serriola	Medicinal Plant
BXGF05976	Ocotea minarum	Ocotea minarum	Others
BXGF06006	Centaurea corcubionensis	Centaurea corcubionensis	Others
BXGF06083	Cryptocarya oblata	Cryptocarya oblata	Others
BXGF06133	Eriostemon fitzgeraldii	Eriostemon fitzgeraldii	Others
BXGF06159	Pseudocyclosorus subochthodes	Pseudocyclosorus subochthodes	Others
BXGF06201	Solenopsis punctaticeps	Solenopsis punctaticeps	Others
BXGF06247	Phyllodium pulchellum	Phyllodium pulchellum	Medicinal Plant
BXGF06249	Enicosanthum cupulare	Enicosanthum cupulare	Others
BXGF06286	Mikania scandens	Mikania scandens	Medicinal Plant
BXGF06326	Cotylelobium scabriusculum	Cotylelobium scabriusculum	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}