acompound

Showing entry for Myricetin 3-glucoside

General Compound Information
BXGC Id	BXGC0009126
Compound Name	Myricetin 3-glucoside
Structure
Formula	C21H20O13
InchiKey	FOHXFLPXBUAOJM-LIBJPBHASA-N
SMILES	OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
Inchi	InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1
IUPAC	5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Molecular Weight	480.38
Pubchem Id	5318606
Chembl Id	CHEMBL1221722

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

50004202

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	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	-	17230	-	-

CHEMBL

CHEMBL1221722

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
P34913	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	IC50	'='	17230	nM
P34913	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	Inhibition	'>'	40	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00156	Redcurrant	Ribes rubrum	Fruits
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00303	Chia	Salvia hispanica	Herbs and Spices
BXGF00998	Syncarpia hillii	Syncarpia hillii	Others
BXGF01069	Ratibida mexicana	Ratibida mexicana	Medicinal Plant
BXGF01083	Elymus repens	Elymus repens	Medicinal Plant
BXGF01255	Lemaireocereus griseus	Lemaireocereus griseus	Human Edible Plant
BXGF01270	Peltogyne porphyrocardia	Peltogyne porphyrocardia	Others
BXGF01309	Ajuga genevensis	Ajuga genevensis	Garden Plant
BXGF01406	Phedimus aizoon	Phedimus aizoon	Others
BXGF01455	Diospyros eriantha	Diospyros eriantha	Others
BXGF01488	Cyrtomium falcatum	Cyrtomium falcatum	Medicinal Plant
BXGF01491	Alkanna cappadocica	Alkanna cappadocica	Medicinal Plant
BXGF01524	Artemisia dentata	Artemisia dentata	Others
BXGF01552	Garcinia xipshuanbannaensis	Garcinia xipshuanbannaensis	Human Edible Plant
BXGF01633	Scorzonera pseudodivaricata	Scorzonera pseudodivaricata	Others
BXGF01649	Rapanea lancifolia	Rapanea lancifolia	Others
BXGF01670	Ononis vaginalis	Ononis vaginalis	Others
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01751	Caulerpa serrulata	Caulerpa serrulata	Human Edible Plant
BXGF01784	Leonurus persicus	Leonurus persicus	Medicinal Plant
BXGF01810	Delphinium shawurense	Delphinium shawurense	Others
BXGF01882	Lathyrus nissolia	Lathyrus nissolia	Medicinal Plant
BXGF01963	Hippeastrum papilio	Hippeastrum papilio	Others
BXGF01977	Gutierrezia lucida	Gutierrezia lucida	Others
BXGF01994	Helichrysum graveolens	Helichrysum graveolens	Others
BXGF02012	Glochidion sphaerogynum	Glochidion sphaerogynum	Medicinal Plant
BXGF02042	Magnolia sieboldii	Magnolia sieboldii	Medicinal Plant
BXGF02187	Boronia pinnata	Boronia pinnata	Others
BXGF02330	Codonopsis pilosula	Codonopsis pilosula	Medicinal Plant
BXGF02435	Pinguicula vulgaris	Pinguicula vulgaris	Medicinal Plant
BXGF02600	Berberis repens	Berberis repens	Others
BXGF02663	Atalantia racemosa	Atalantia racemosa	Medicinal Plant
BXGF03342	Buddleja cordata	Buddleja cordata	Others
BXGF03350	Tarenaya spinosa	Tarenaya spinosa	Medicinal Plant
BXGF03404	Hippocratea excelsa	Hippocratea excelsa	Medicinal Plant
BXGF03582	Sedum litoreum	Sedum litoreum	Others
BXGF03747	Millettia erythrocalyx	Millettia erythrocalyx	Medicinal Plant
BXGF03807	Centaurea squarrosa	Centaurea squarrosa	Others
BXGF03814	Juniperus rigida var. conferta	Juniperus rigida var. conferta	Medicinal Plant
BXGF03853	Aconitum violaceum	Aconitum violaceum	Medicinal Plant
BXGF03978	Hoffmannia strigillosa	Hoffmannia strigillosa	Others
BXGF04014	Litsea rotundifolia	Litsea rotundifolia	Others
BXGF04129	Diphasiastrum thyoides	Diphasiastrum thyoides	Others
BXGF04252	Wyethia mollis	Wyethia mollis	Medicinal Plant
BXGF04837	Nekemias grossedentata	Nekemias grossedentata	Others
BXGF05088	Teucrium asiaticum	Teucrium asiaticum	Others
BXGF05154	Bunias orientalis	Bunias orientalis	Medicinal Plant
BXGF05161	Euphorbia myrsinites	Euphorbia myrsinites	Garden Plant
BXGF05201	Vicia amurensis	Vicia amurensis	Medicinal Plant
BXGF05288	Fagraea gracilipes	Fagraea gracilipes	Human Edible Plant
BXGF05322	Trichosanthes rosthornii	Trichosanthes rosthornii	Medicinal Plant
BXGF05404	Millettia ferruginea	Millettia ferruginea	Human Edible Plant
BXGF05502	Globularia davisiana	Globularia davisiana	Others
BXGF05520	Euphorbia humifusa	Euphorbia humifusa	Medicinal Plant
BXGF05557	Thermopsis dolichocarpa	Thermopsis dolichocarpa	Others
BXGF05560	Crambe tatarica	Crambe tatarica	Medicinal Plant
BXGF05586	Limnocharis flava	Limnocharis flava	Medicinal Plant
BXGF05608	Amaranthus hypochondriacus	Amaranthus hypochondriacus	Medicinal Plant
BXGF05629	Iryanthera paraensis	Iryanthera paraensis	Human Edible Plant
BXGF05633	Pongamiopsis pervilleana	Pongamiopsis pervilleana	Others
BXGF05657	Zanthoxylum fraxineum	Zanthoxylum fraxineum	Others
BXGF05806	Helicteres angustifolia	Helicteres angustifolia	Medicinal Plant
BXGF05907	Senecio viscosus	Senecio viscosus	Others
BXGF05928	Cleistanthus indochinensis	Cleistanthus indochinensis	Others
BXGF05992	Croton laccifer	Croton laccifer	Others
BXGF06116	Pteris semipinnata	Pteris semipinnata	Others
BXGF06193	Fritillaria ningguoensis	Fritillaria ningguoensis	Medicinal Plant
BXGF06296	Eucalyptus maideni	Eucalyptus maideni	Medicinal Plant
BXGF06302	Pinus brutia var. eldarica	Pinus brutia var. eldarica	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}