Showing entry for Geraniin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0026490
Compound NameGeraniin
Structure
FormulaC41H28O27
InchiKeyJQQBXPCJFAKSPG-SVYIMCMUSA-N
SMILESO=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]4[C@H]1OC(=O)c1cc(O)c(c5c1[C@@H]1C(=CC(=O)[C@](O5)(C1(O)O)O)C(=O)O[C@H]24)O)cc(O)c(c3O)O)O)O
InchiInChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,
IUPAC
Molecular Weight952.08
Pubchem Id3001497
Chembl IdCHEMBL506069
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 50242278
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 BXGT010917 Squalene monooxygenase reviewed Sqle - 4100 - -
reviewed BXGT007849 Angiotensin-converting enzyme reviewed Enzyme ACE - 400000 - -
CHEMBL CHEMBL506069
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
P12821 BXGT007849 Angiotensin-converting enzyme reviewed Enzyme ACE IC50 '=' 400000 nM
P52020 BXGT010917 Squalene monooxygenase reviewed - Sqle IC50 '=' 4100 nM
Q15796 BXGT013599 Mothers against decapentaplegic homolog 2 reviewed Transcription factor SMAD2 Inhibition - - -
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
BXGF00144 Apricot Prunus armeniaca Fruits
BXGF00206 Ginger Zingiber officinale Herbs and Spices
BXGF00852 Triaenophora rupestris Triaenophora rupestris Others
BXGF00926 Larix cajanderi Larix cajanderi Others
BXGF01010 Sextonia rubra Sextonia rubra Others
BXGF01045 Dioscorea japonica Dioscorea japonica Medicinal Plant
BXGF01264 Cedrus libani Cedrus libani Medicinal Plant
BXGF01265 Macaranga tanarius Macaranga tanarius Medicinal Plant
BXGF01297 Justicia paniculata Justicia paniculata Medicinal Plant
BXGF01306 Swartzia madagascariensis Swartzia madagascariensis Medicinal Plant
BXGF01340 Khaya ivorensis Khaya ivorensis Medicinal Plant
BXGF01425 Craspidospermum verticillatum Craspidospermum verticillatum Others
BXGF01472 Cerinthe minor Cerinthe minor Others
BXGF01502 Ixeris stolonifera Ixeris stolonifera Medicinal Plant
BXGF01535 Cephalaria grossheimii Cephalaria grossheimii Others
BXGF01638 Lotus japonicus Lotus japonicus Others
BXGF01679 Melaleuca rhaphiophylla Melaleuca rhaphiophylla Others
BXGF01726 Senecio renardii Senecio renardii Medicinal Plant
BXGF01739 Acer maximowiczianum Acer maximowiczianum Others
BXGF01760 Hypericum ascyron Hypericum ascyron Medicinal Plant
BXGF01789 Aristolochia zollingeriana Aristolochia zollingeriana Others
BXGF01978 Jacobaea adonidifolia Jacobaea adonidifolia Others
BXGF02044 Chrysothamnus parryi Chrysothamnus parryi Others
BXGF02093 Geranium wilfordii Geranium wilfordii Medicinal Plant
BXGF02294 Bartramia pomiformis Bartramia pomiformis Medicinal Plant
BXGF02314 Geranium carolinianum Geranium carolinianum Others
BXGF02658 Erodium stephanianum Erodium stephanianum Medicinal Plant
BXGF03230 Ehretia dicksonii Ehretia dicksonii Medicinal Plant
BXGF03253 Forsythia suspensa Forsythia suspensa Medicinal Plant
BXGF03497 Excoecaria agallocha Excoecaria agallocha Medicinal Plant
BXGF04079 Senna siamea Senna siamea Medicinal Plant
BXGF04094 Virola multinervia Virola multinervia Medicinal Plant
BXGF04392 Artemisia carvifolia Artemisia carvifolia Others
BXGF04527 Geranium thunbergii Geranium thunbergii Medicinal Plant
BXGF04659 Phyllanthus emblica Phyllanthus emblica Medicinal Plant
BXGF04950 Vitex pinnata Vitex pinnata Medicinal Plant
BXGF04957 Acer nikoense Acer nikoense Medicinal Plant
BXGF04992 Cephalaria uralensis Cephalaria uralensis Others
BXGF05015 Balanophora involucrata Balanophora involucrata Medicinal Plant
BXGF05092 Elaeocarpus fuscoides Elaeocarpus fuscoides Others
BXGF05094 Lupinus verbasciformis Lupinus verbasciformis Others
BXGF05215 Geranium sylvaticum Geranium sylvaticum Others
BXGF05441 Haplophyllum ferganicum Haplophyllum ferganicum Others
BXGF05447 Calodendrum capense Calodendrum capense Medicinal Plant
BXGF05478 Callicarpa maingayi Callicarpa maingayi Others
BXGF05479 Stevia purpurea Stevia purpurea Others
BXGF05487 Crotalaria aegyptiaca Crotalaria aegyptiaca Others
BXGF05520 Euphorbia humifusa Euphorbia humifusa Medicinal Plant
BXGF05578 Aglaia laxiflora Aglaia laxiflora Human Edible Plant
BXGF05600 Aframomum amaniense Aframomum amaniense Others
BXGF05624 Croton caudatus Croton caudatus Medicinal Plant
BXGF05714 Khaya senegalensis Khaya senegalensis Medicinal Plant
BXGF05766 Dicoma capensis Dicoma capensis Medicinal Plant
BXGF05781 Oxera splendida Oxera splendida Others
BXGF05795 Nama hispidum Nama hispidum Others
BXGF05872 Digitalis isabelliana Digitalis isabelliana Others
BXGF05873 Scopolia hladnikiana Scopolia hladnikiana Others
BXGF05900 Beilschmiedia anacardioides Beilschmiedia anacardioides Medicinal Plant
BXGF06044 Citrus junos Citrus junos Medicinal Plant
BXGF06046 Meconopsis horridula Meconopsis horridula Medicinal Plant
BXGF06087 Sonchus ortunoi Sonchus ortunoi Others
BXGF06111 Pteris radiata Pteris radiata Others
BXGF06174 Styrax ferrugineus Styrax ferrugineus Medicinal Plant
BXGF06277 Vincetoxicum hirundinaria Vincetoxicum hirundinaria Medicinal Plant
BXGF06323 Euphorbia turczaninowii Euphorbia turczaninowii 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