acompound

Showing entry for Prunin

General Compound Information
BXGC Id	BXGC0043507
Compound Name	Prunin
Structure
Formula	C21H22O10
InchiKey	DLIKSSGEMUFQOK-SFTVRKLSSA-N
SMILES	OC[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1
IUPAC	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular Weight	434.12
Pubchem Id	92794
Chembl Id	CHEMBL469654

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

CHEMBL469654

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	'='	18	%
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	17500	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-1	%
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	-	-	-
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	Activity	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	4	%
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	3000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	4530	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00213	European cranberry	Vaccinium oxycoccos	Fruits
BXGF00931	Ipomoea digitata	Ipomoea digitata	Medicinal Plant
BXGF00989	Asteriscus aquaticus	Asteriscus aquaticus	Others
BXGF01018	Cinnamomum subavenium	Cinnamomum subavenium	Medicinal Plant
BXGF01034	Annona cornifolia	Annona cornifolia	Human Edible Plant
BXGF01102	Pseudowintera colorata	Pseudowintera colorata	Others
BXGF01174	Salvia syriaca	Salvia syriaca	Others
BXGF01180	Phebalium dentatum	Phebalium dentatum	Others
BXGF01204	Solanum laxum	Solanum laxum	Medicinal Plant
BXGF01217	Ecballium elaterium	Ecballium elaterium	Medicinal Plant
BXGF01242	Capparis ovata	Capparis ovata	Medicinal Plant
BXGF01244	Croton montevidensis	Croton montevidensis	Others
BXGF01327	Datisca glomerata	Datisca glomerata	Others
BXGF01378	Quercus imbricaria	Quercus imbricaria	Medicinal Plant
BXGF01409	Dioscorea olfersiana	Dioscorea olfersiana	Human Edible Plant
BXGF01444	Cassine papillosa	Cassine papillosa	Human Edible Plant
BXGF01456	Eucalyptus melliodora	Eucalyptus melliodora	Others
BXGF01555	Scutellaria amoena	Scutellaria amoena	Medicinal Plant
BXGF01614	Goniothalamus malayanus	Goniothalamus malayanus	Others
BXGF01834	Lysimachia mauritiana	Lysimachia mauritiana	Others
BXGF01883	Swertia franchetiana	Swertia franchetiana	Medicinal Plant
BXGF01989	Helipterum roseum	Helipterum roseum	Others
BXGF02050	Hedysarum connatum	Hedysarum connatum	Others
BXGF02075	Swertia punctata	Swertia punctata	Medicinal Plant
BXGF02088	Zanthoxylum tetraspermum	Zanthoxylum tetraspermum	Medicinal Plant
BXGF02125	Artemisia assoana	Artemisia assoana	Others
BXGF02183	Dumortiera hirsuta	Dumortiera hirsuta	Medicinal Plant
BXGF02246	Lepisorus ussuriensis	Lepisorus ussuriensis	Medicinal Plant
BXGF02285	Viscum articulatum	Viscum articulatum	Medicinal Plant
BXGF02295	Alstonia spathulata	Alstonia spathulata	Others
BXGF02326	Phoebe pittieri	Phoebe pittieri	Others
BXGF02361	Hypericum laricifolium	Hypericum laricifolium	Medicinal Plant
BXGF02410	Adiantum lunulatum	Adiantum lunulatum	Medicinal Plant
BXGF02460	Peltostigma guatemalense	Peltostigma guatemalense	Others
BXGF02491	Acacia adunca	Acacia adunca	Others
BXGF02515	Viguiera incana	Viguiera incana	Others
BXGF02529	Astragalus sempervirens	Astragalus sempervirens	Others
BXGF02554	Marrubium anisodon	Marrubium anisodon	Medicinal Plant
BXGF02593	Wikstroemia retusa	Wikstroemia retusa	Others
BXGF02606	Naucleopsis ternstroemiiflora	Naucleopsis ternstroemiiflora	Others
BXGF02857	Agrostis epigeios	Agrostis epigeios	Others
BXGF03050	Dracocephalum tanguticum	Dracocephalum tanguticum	Others
BXGF03051	Phyllanthus oligospermus	Phyllanthus oligospermus	Others
BXGF03499	Clematis tangutica	Clematis tangutica	Medicinal Plant
BXGF03703	Litsea zeylanica	Litsea zeylanica	Medicinal Plant
BXGF03947	Rumex maritimus	Rumex maritimus	Medicinal Plant
BXGF04153	Solanum andigena	Solanum andigena	Others
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	Medicinal Plant
BXGF05078	Alstonia undulifolia	Alstonia undulifolia	Others
BXGF05143	Scrophularia koelzii	Scrophularia koelzii	Medicinal Plant
BXGF05187	Calostephane divaricata	Calostephane divaricata	Others
BXGF05225	Betula platyphylla	Betula platyphylla	Medicinal Plant
BXGF05277	Prunus davidiana	Prunus davidiana	Medicinal Plant
BXGF05283	Polygonum flaccidum	Polygonum flaccidum	Medicinal Plant
BXGF05378	Hubertia tomentosa	Hubertia tomentosa	Others
BXGF05453	Ligustrum obtusifolium	Ligustrum obtusifolium	Medicinal Plant
BXGF05454	Picea vulgaris	Picea vulgaris	Others
BXGF05541	Helichrysum auriceps	Helichrysum auriceps	Others
BXGF05742	Caragana aurantiaca	Caragana aurantiaca	Others
BXGF05862	Premna odorata	Premna odorata	Medicinal Plant
BXGF05871	Fagus fusca	Fagus fusca	Others
BXGF05889	Spiracantha cornifolia	Spiracantha cornifolia	Others
BXGF05952	Tylophora tanakae	Tylophora tanakae	Others
BXGF06031	Myristica cagayanensis	Myristica cagayanensis	Others
BXGF06037	Cotyledon secunda	Cotyledon secunda	Others
BXGF06227	Rauvolfia vomitoria	Rauvolfia vomitoria	Medicinal Plant
BXGF06236	Charpentiera obovata	Charpentiera obovata	Others
BXGF06237	Gnetum latifolium	Gnetum latifolium	Medicinal Plant
BXGF06270	Lotus ucrainicus	Lotus ucrainicus	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}