Showing entry for Isorhamnetin 3-beta-D-glucoside



                             
General Compound Information
BXGC IdBXGC0003455
Compound NameIsorhamnetin 3-beta-D-glucoside
Structure
FormulaC22H22O12
InchiKeyCQLRUIIRRZYHHS-LFXZADKFSA-N
SMILESCOC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1
InchiInChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1
IUPAC5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Molecular Weight478.4
Pubchem Id5318645
Chembl IdCHEMBL234316
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 CHEMBL234316
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
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 1 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 30 %
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 24 %
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '=' 9300 nM
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '=' 7400 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00006 Garden onion Allium cepa Vegetables
BXGF00063 Saffron Crocus sativus Herbs and Spices
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF00087 Sea-buckthornberry Hippophae rhamnoides Fruits
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF00382 New Zealand spinach Tetragonia tetragonioides Vegetables
BXGF00900 Melaleuca cuticularis Melaleuca cuticularis Others
BXGF00901 Ipomoea muricata Ipomoea muricata Medicinal Plant
BXGF00904 Platonia insignis Platonia insignis Medicinal Plant
BXGF00938 Dendrophthoe falcata Dendrophthoe falcata Medicinal Plant
BXGF00939 Triclisia subcordata Triclisia subcordata Others
BXGF00948 Artemisia apiacea Artemisia apiacea Medicinal Plant
BXGF00982 Matricaria suffruticosa Matricaria suffruticosa Medicinal Plant
BXGF01013 Trichilia hirta Trichilia hirta Human Edible Plant
BXGF01023 Salvia cyanescens Salvia cyanescens Others
BXGF01026 Aspilia parvifolia Aspilia parvifolia Others
BXGF01029 Eupatorium petiolare Eupatorium petiolare Others
BXGF01065 Artemisia capillaris Artemisia capillaris Medicinal Plant
BXGF01147 Chelidonium majus Chelidonium majus Medicinal Plant
BXGF01292 Dorstenia barteri Dorstenia barteri Medicinal Plant
BXGF01369 Descurainia sophia Descurainia sophia Medicinal Plant
BXGF01421 Corydalis densiflora Corydalis densiflora Others
BXGF01485 Schleichera trijuga Schleichera trijuga Medicinal Plant
BXGF01619 Centaurea calcitrapa Centaurea calcitrapa Medicinal Plant
BXGF01640 Craibiodendron yunnanense Craibiodendron yunnanense Others
BXGF01661 Napoleonaea vogelii Napoleonaea vogelii Human Edible Plant
BXGF01802 Kandelia candel Kandelia candel Medicinal Plant
BXGF01809 Anaxagorea dolichocarpa Anaxagorea dolichocarpa Others
BXGF01881 Wedelia prostrata Wedelia prostrata Others
BXGF01893 Bonnetia dinizii Bonnetia dinizii Others
BXGF01903 Erica glauca Erica glauca Others
BXGF01986 Mabea fistulifera Mabea fistulifera Others
BXGF02067 Barringtonia acutangula Barringtonia acutangula Medicinal Plant
BXGF02068 Leucas neufliseana Leucas neufliseana Others
BXGF02109 Embelia ribes Embelia ribes Medicinal Plant
BXGF02123 Viscum angulatum heyne Viscum angulatum heyne Others
BXGF02180 Cedrela fissilis Cedrela fissilis Medicinal Plant
BXGF02186 Astragalus adsurgens Astragalus adsurgens Others
BXGF02198 Cuscuta chinensis Cuscuta chinensis Medicinal Plant
BXGF02211 Desmodium canadense Desmodium canadense Others
BXGF02342 Dorycnium suffruticosum Dorycnium suffruticosum Others
BXGF02408 Teucrium heterophyllum Teucrium heterophyllum Others
BXGF02487 Baccharis sagittalis Baccharis sagittalis Others
BXGF02547 Senecio ambraceus Senecio ambraceus Others
BXGF02690 Raukaua simplex Raukaua simplex Others
BXGF02692 Plectocephalus chilensis Plectocephalus chilensis Others
BXGF02794 Ephedra aphylla Ephedra aphylla Others
BXGF02946 Artemisia anomala Artemisia anomala Medicinal Plant
BXGF03029 Udotea petiolata Udotea petiolata Others
BXGF03160 Baccharis thesioides Baccharis thesioides Others
BXGF03367 Tecoma pentaphylla Tecoma pentaphylla Others
BXGF03572 Calicotome villosa Calicotome villosa Medicinal Plant
BXGF03693 Aster koraiensis Aster koraiensis Medicinal Plant
BXGF04333 Jacobaea vulgaris Jacobaea vulgaris Others
BXGF04711 Cuscuta australis Cuscuta australis Medicinal Plant
BXGF04759 Calendula officinalis Calendula officinalis Medicinal Plant
BXGF04760 Wikstroemia chamaedaphne Wikstroemia chamaedaphne Medicinal Plant
BXGF04789 Khaya grandifoliola Khaya grandifoliola Medicinal Plant
BXGF04909 Hippophae fructus Hippophae fructus Others
BXGF05055 sarracenia purpurea sarracenia purpurea Medicinal Plant
BXGF05086 Quercus suber Quercus suber Medicinal Plant
BXGF05148 Munronia delavayi Munronia delavayi Others
BXGF05157 Garcinia morella Garcinia morella Medicinal Plant
BXGF05205 Pedicularis procera Pedicularis procera Others
BXGF05220 Ulmus americana Ulmus americana Medicinal Plant
BXGF05251 Allium neapolitanum Allium neapolitanum Medicinal Plant
BXGF05260 Peucedanum praeruptorum Peucedanum praeruptorum Medicinal Plant
BXGF05290 Reaumuria hirtella Reaumuria hirtella Others
BXGF05342 Cycas armstrongii Cycas armstrongii Human Edible Plant
BXGF05361 Coleus esquirolii Coleus esquirolii Others
BXGF05395 Cycas revoluta Cycas revoluta Medicinal Plant
BXGF05442 Zanthoxylum bungeanum Zanthoxylum bungeanum Medicinal Plant
BXGF05457 Veronica chamaedrys Veronica chamaedrys Medicinal Plant
BXGF05459 Vachellia pennatula Vachellia pennatula Medicinal Plant
BXGF05467 Dalbergia congestiflora Dalbergia congestiflora Medicinal Plant
BXGF05545 Litsea glutinosa Litsea glutinosa Medicinal Plant
BXGF05591 Mammillaria magnimamma Mammillaria magnimamma Others
BXGF05618 Licaria armeniaca Licaria armeniaca Human Edible Plant
BXGF05620 Echinosophora koreensis Echinosophora koreensis Others
BXGF05669 Marrubium velutinum Marrubium velutinum Medicinal Plant
BXGF05673 Garcinia intermedia Garcinia intermedia Human Edible Plant
BXGF05723 Bellium bellidioides Bellium bellidioides Others
BXGF05733 Typha domingensis Typha domingensis Medicinal Plant
BXGF05745 Elegia deusta Elegia deusta Others
BXGF05770 Sida veronicaefolia Sida veronicaefolia Medicinal Plant
BXGF05818 Astragalus cicer Astragalus cicer Others
BXGF05881 Salvia munzii Salvia munzii Others
BXGF05894 Vitex agnus-castus Vitex agnus-castus Medicinal Plant
BXGF05901 Kielmeyera coriacea Kielmeyera coriacea Medicinal Plant
BXGF05914 Solanum transcaucasicum Solanum transcaucasicum Others
BXGF05916 Senecio densiflorus Senecio densiflorus Others
BXGF05927 Schultesia guianensis Schultesia guianensis Others
BXGF05951 Consolida hohenackeri Consolida hohenackeri Others
BXGF06006 Centaurea corcubionensis Centaurea corcubionensis Others
BXGF06027 Angelica taiwaniana Angelica taiwaniana Medicinal Plant
BXGF06050 Liparis loeselii Liparis loeselii Medicinal Plant
BXGF06068 Lithospermum officinale Lithospermum officinale Medicinal Plant
BXGF06076 Aglaia tsangii Aglaia tsangii Others
BXGF06146 Sarcococca vagans Sarcococca vagans Medicinal Plant
BXGF06167 Sorbaria sorbifolia Sorbaria sorbifolia Medicinal Plant
BXGF06179 Trachelospermum lucidum Trachelospermum lucidum Medicinal Plant
BXGF06212 Glycosmis ovoidea Glycosmis ovoidea Medicinal Plant
BXGF06234 Magnolia pterocarpa Magnolia pterocarpa Others
BXGF06301 Oricia gabonensis Oricia gabonensis Others
BXGF06327 Cynara humilis Cynara humilis Human Edible 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