acompound

Showing entry for Hesperidin

General Compound Information
BXGC Id	BXGC0001965
Compound Name	Hesperidin
Structure
Formula	C28H34O15
InchiKey	QUQPHWDTPGMPEX-QJBIFVCTSA-N
SMILES	COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O
Inchi	InChI=1S/C28H34O15/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/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
IUPAC	(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
Molecular Weight	610.56
Pubchem Id	10621
Chembl Id	CHEMBL449317

Targets of Information Source

DrugBank

DB04703

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
Q96GD4	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	approved; investigational	-

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

61776

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	BXGT012558	Voltage-dependent N-type calcium channel subunit alpha-1B	reviewed	Ion channel	CACNA1B	-	9500	-	-
reviewed	BXGT020426	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	reviewed		CTDSP1	-	20733	-	-
reviewed	BXGT007520	Calmodulin-1	reviewed		CALM1	-	74000	-	-
reviewed	BXGT024595	Calmodulin-3	reviewed		CALM3	-	74000	-	-
reviewed	BXGT007521	Calmodulin-2	reviewed		CALM2	-	74000	-	-
reviewed	BXGT007520	Calmodulin-1	reviewed		CALM1	-	70000	-	-
reviewed	BXGT024595	Calmodulin-3	reviewed		CALM3	-	70000	-	-
reviewed	BXGT007521	Calmodulin-2	reviewed		CALM2	-	70000	-	-
reviewed	BXGT022215	Heparanase	reviewed	Enzyme	HPSE	-	-	>1000000	-

CHEMBL

CHEMBL449317

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
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	44668	nM
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	IC50	'='	100000	nM
P0DP23	BXGT007520	Calmodulin-1	reviewed	-	CALM1	IC50	'='	74000	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Activity	-	-	-
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	-	-	-
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	79432	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	50118	nM
P00734	BXGT005630	Prothrombin	reviewed	Enzyme	F2	Inhibition	-	-	-
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	110	%
Q9Y251	BXGT022215	Heparanase	reviewed	Enzyme	HPSE	Activity	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'>'	100000	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	79432	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	22387	nM
Q9Y251	BXGT022215	Heparanase	reviewed	Enzyme	HPSE	Kd	'>'	1000000	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	89125	nM
Q64133	BXGT016109	Amine oxidase [flavin-containing] A	reviewed	-	Maoa	Activity	-	-	-
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	K	'='	302000	-
Q9GZU7	BXGT020426	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	reviewed	-	CTDSP1	IC50	'='	20733	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	79432	nM
Q02410	BXGT012652	Amyloid-beta A4 precursor protein-binding family A member 1	reviewed	Transporter	APBA1	IC50	'>'	50000	nM
Q00975	BXGT012558	Voltage-dependent N-type calcium channel subunit alpha-1B	reviewed	Ion channel	CACNA1B	IC50	'>'	50000	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-4	%
P0DP23	BXGT007520	Calmodulin-1	reviewed	-	CALM1	IC50	'='	70000	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-14	%
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	Potency	-	37933	nM
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	'='	40	%
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	FC	'='	2	-
Q02410	BXGT012652	Amyloid-beta A4 precursor protein-binding family A member 1	reviewed	Transporter	APBA1	IC50	'='	9500	nM
Q00975	BXGT012558	Voltage-dependent N-type calcium channel subunit alpha-1B	reviewed	Ion channel	CACNA1B	IC50	'='	9500	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	'='	100	%
Q8BW75	BXGT017924	Amine oxidase [flavin-containing] B	reviewed	-	Maob	Activity	-	-	-
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	2022	nM
O88397	BXGT005271	Solute carrier organic anion transporter family member 1A5	reviewed	-	Slco1a5	Activity	'='	51	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	106	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00053	Lime	Citrus aurantiifolia	Fruits
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00055	Pummelo	Citrus maxima	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00089	Hyssop	Hyssopus officinalis	Herbs and Spices
BXGF00109	Mentha (Mint)	Mentha	Herbs and Spices
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00112	Spearmint	Mentha spicata	Herbs and Spices
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00142	Purslane	Portulaca oleracea	Herbs and Spices
BXGF00159	Rosemary	Rosmarinus officinalis	Herbs and Spices
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF00184	Linden	Tilia	Herbs and Spices
BXGF00227	Welsh onion	Allium fistulosum	Herbs and Spices
BXGF00239	Grapefruit	Citrus X paradisi	Fruits
BXGF00346	Horseradish tree	Moringa oleifera	Vegetables
BXGF00393	Pepper (C. frutescens)	Capsicum annuum var. annuum	Vegetables
BXGF00811	Citrus		Fruits
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF00851	Myrsine capitellata	Myrsine capitellata	Medicinal Plant
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF00930	Strophanthus eminii	Strophanthus eminii	Medicinal Plant
BXGF01066	Stevia alpina	Stevia alpina	Others
BXGF01122	Sideritis trojana	Sideritis trojana	Others
BXGF01200	Markhamia stipulata	Markhamia stipulata	Medicinal Plant
BXGF01215	Cirsium setosum	Cirsium setosum	Medicinal Plant
BXGF01342	Hypericum reflexum	Hypericum reflexum	Others
BXGF01364	Vinca minor	Vinca minor	Human Edible Plant
BXGF01429	Osteospermum fruticosum	Osteospermum fruticosum	Others
BXGF01506	Thymus quinquecostatus	Thymus quinquecostatus	Medicinal Plant
BXGF01539	Euphrasia stricta	Euphrasia stricta	Others
BXGF01668	Taraxacum platycarpum	Taraxacum platycarpum	Medicinal Plant
BXGF01716	Mentha canadensis	Mentha canadensis	Medicinal Plant
BXGF01878	Lobelia chinensis	Lobelia chinensis	Medicinal Plant
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF02048	Sideritis soluta	Sideritis soluta	Others
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02152	Taraxacum borealisinense	Taraxacum borealisinense	Others
BXGF02155	Chrysanthemum uliginosum	Chrysanthemum uliginosum	Others
BXGF02167	Scutellaria barbata	Scutellaria barbata	Medicinal Plant
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02317	Krameria parvifolia	Krameria parvifolia	Others
BXGF02330	Codonopsis pilosula	Codonopsis pilosula	Medicinal Plant
BXGF02372	Aesculus turbinata	Aesculus turbinata	Medicinal Plant
BXGF02388	Ipomoea nil	Ipomoea nil	Medicinal Plant
BXGF02390	Argyreia speciosa	Argyreia speciosa	Medicinal Plant
BXGF02442	Pluchea dioscoridis	Pluchea dioscoridis	Medicinal Plant
BXGF02465	Vernonia profuga	Vernonia profuga	Others
BXGF02578	Artocarpus styracifolius	Artocarpus styracifolius	Human Edible Plant
BXGF02592	Ilex affinis	Ilex affinis	Human Edible Plant
BXGF02667	Anaxagorea clavata	Anaxagorea clavata	Others
BXGF02756	Schizonepeta tenuisfolia	Schizonepeta tenuisfolia	Others
BXGF02779	Swertia chinensis	Swertia chinensis	Medicinal Plant
BXGF02821	Forsythia giraldiana	Forsythia giraldiana	Others
BXGF02892	Dorstenia mannii	Dorstenia mannii	Medicinal Plant
BXGF02940	Conyza japonica	Conyza japonica	Medicinal Plant
BXGF02956	Forsythia viridissima	Forsythia viridissima	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03144	Stenostomum lucidum	Stenostomum lucidum	Others
BXGF03147	Beyeria brevifolia	Beyeria brevifolia	Others
BXGF03152	Sophora japonica	Sophora japonica	Medicinal Plant
BXGF03158	Rheum officinale	Rheum officinale	Medicinal Plant
BXGF03253	Forsythia suspensa	Forsythia suspensa	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03346	Dendrobium candidum	Dendrobium candidum	Others
BXGF03421	Kaempferia pulchra	Kaempferia pulchra	Medicinal Plant
BXGF03452	Pyrola rotundifolia	Pyrola rotundifolia	Medicinal Plant
BXGF03534	Drosera peltata	Drosera peltata	Medicinal Plant
BXGF03560	Alnus alnobetula	Alnus alnobetula	Others
BXGF03630	Taraxacum coreanum	Taraxacum coreanum	Others
BXGF03662	Polygonatum odoratum	Polygonatum odoratum	Medicinal Plant
BXGF03672	Erysimum siliculosum	Erysimum siliculosum	Others
BXGF03712	Arnica nevadensis	Arnica nevadensis	Others
BXGF03745	Odixia angusta	Odixia angusta	Others
BXGF03760	Prunus laurocerasus	Prunus laurocerasus	Medicinal Plant
BXGF03812	Ficus formosana	Ficus formosana	Human Edible Plant
BXGF03843	Dipterocarpus alatus	Dipterocarpus alatus	Medicinal Plant
BXGF03864	Echinops amplexicaulis	Echinops amplexicaulis	Medicinal Plant
BXGF03873	Quercus aegilops	Quercus aegilops	Medicinal Plant
BXGF03883	Chloranthus tianmushanensis	Chloranthus tianmushanensis	Others
BXGF03897	Prosopis glandulosa	Prosopis glandulosa	Human Edible Plant
BXGF03916	Aria pallescens	Aria pallescens	Others
BXGF03926	Simira eliezeriana	Simira eliezeriana	Others
BXGF03939	Senecio squalidus	Senecio squalidus	Medicinal Plant
BXGF03951	Araujia sericifera	Araujia sericifera	Medicinal Plant
BXGF03966	Artemisia monogyna	Artemisia monogyna	Others
BXGF03986	Epaltes gariepina	Epaltes gariepina	Others
BXGF03988	Rheum coreanum	Rheum coreanum	Others
BXGF03991	Seriphidium cinum	Seriphidium cinum	Medicinal Plant
BXGF04002	Dendrosenecio kilimanjari	Dendrosenecio kilimanjari	Others
BXGF04009	Isodon kameba	Isodon kameba	Medicinal Plant
BXGF04016	Pterocarpus grandiflorus	Pterocarpus grandiflorus	Others
BXGF04030	Chromolaena pulchella	Chromolaena pulchella	Others
BXGF04041	Bursaria spinosa	Bursaria spinosa	Human Edible Plant
BXGF04054	Taxodium mucronatum	Taxodium mucronatum	Medicinal Plant
BXGF04066	Gardenia fosbergii	Gardenia fosbergii	Others
BXGF04073	Vitex madiensis	Vitex madiensis	Medicinal Plant
BXGF04144	Agnorhiza bolanderi	Agnorhiza bolanderi	Others
BXGF04230	Sigesbeckia pubescens	Sigesbeckia pubescens	Others
BXGF04235	Rubus chingii	Rubus chingii	Food Plant
BXGF04310	Taraxacum mongolicum	Taraxacum mongolicum	Medicinal Plant
BXGF04539	Rheum palmatum	Rheum palmatum	Medicinal Plant
BXGF04708	Sesbania punicea	Sesbania punicea	Others
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF04768	Sigesbeckia glabrescens	Sigesbeckia glabrescens	Medicinal Plant
BXGF04881	Fallopia multiflora	Fallopia multiflora	Medicinal Plant
BXGF04907	Echinopsis radix	Echinopsis radix	Others
BXGF04909	Hippophae fructus	Hippophae fructus	Others
BXGF04964	Chrysanthemum morifolium	Chrysanthemum morifolium	Medicinal Plant
BXGF05041	Desmodium styracifolium	Desmodium styracifolium	Medicinal Plant
BXGF05255	Asterolasia squamuligera	Asterolasia squamuligera	Others
BXGF05269	Hypericum perforatum	Hypericum perforatum	Medicinal Plant
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05475	Cinnamomum tenuifolium	Cinnamomum tenuifolium	Human Edible Plant
BXGF05552	Catharanthus roseus	Catharanthus roseus	Medicinal Plant
BXGF05643	Viguiera stenoloba	Viguiera stenoloba	Others
BXGF05704	Securidaca inappendiculata	Securidaca inappendiculata	Medicinal Plant
BXGF05720	Camchaya loloana	Camchaya loloana	Others
BXGF05788	Mollugo spergula	Mollugo spergula	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05843	Pteris prolifera	Pteris prolifera	Others
BXGF05877	Rheum tanguticum	Rheum tanguticum	Medicinal Plant
BXGF06044	Citrus junos	Citrus junos	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	Medicinal Plant
BXGF06092	Schizonepeta tenuifolia	Schizonepeta tenuifolia	Medicinal Plant
BXGF06115	Kaempferia rotunda	Kaempferia rotunda	Medicinal Plant
BXGF06168	Nicotiana affinis	Nicotiana affinis	Others
BXGF06222	Senecio sandersonii	Senecio sandersonii	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}