Showing entry for Apigenin 8-C-rhamnosyl-glucoside



                             
General Compound Information
BXGC IdBXGC0002902
Compound NameApigenin 8-C-rhamnosyl-glucoside
Structure
FormulaC27H30O14
InchiKeyFKIYLTVJPDLUDL-SLNHTJRHSA-N
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(O)=C3)C(=O)C=C(O4)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
IUPAC5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
Molecular Weight578.52
Pubchem Id9851181
Chembl IdCHEMBL454778
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 CHEMBL454778
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 '=' 22 %
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -5 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00022 Oat Avena sativa Cereals and cereal products
BXGF00055 Pummelo Citrus maxima Fruits
BXGF00111 Cornmint Mentha arvensis Herbs and Spices
BXGF00934 Aristolochia maxima Aristolochia maxima Medicinal Plant
BXGF01182 Betula mandshurica Betula mandshurica Medicinal Plant
BXGF01184 Buddleja officinalis Buddleja officinalis Medicinal Plant
BXGF01247 Achillea collina Achillea collina Others
BXGF01415 Mikania obtusata Mikania obtusata Others
BXGF01498 Biebersteinia orphanidis Biebersteinia orphanidis Others
BXGF01557 Jasminum officinale Jasminum officinale Medicinal Plant
BXGF01715 Bergenia purpurascens Bergenia purpurascens Medicinal Plant
BXGF01716 Mentha canadensis Mentha canadensis Medicinal Plant
BXGF01878 Lobelia chinensis Lobelia chinensis Medicinal Plant
BXGF01910 Trachelospermum asiaticum Trachelospermum asiaticum Medicinal Plant
BXGF01961 Polygala myrtifolia Polygala myrtifolia Others
BXGF02090 Ligularia platyglossa Ligularia platyglossa Medicinal Plant
BXGF02128 Rhodiola krylovii Rhodiola krylovii Others
BXGF02224 Rapanea myricoides Rapanea myricoides Others
BXGF02247 Crataegus sinaica Crataegus sinaica Human Edible Plant
BXGF02298 Malus asiatica Malus asiatica Medicinal Plant
BXGF02396 Artemisia vachanica Artemisia vachanica Others
BXGF02411 Lasiocephalus ovatus Lasiocephalus ovatus Others
BXGF02427 Montrouziera sphaeroidea Montrouziera sphaeroidea Others
BXGF02443 Cotoneaster orbicularis Cotoneaster orbicularis Others
BXGF02450 Bischofia trifoliata Bischofia trifoliata Others
BXGF02517 Pimpinella saxifraga Pimpinella saxifraga Medicinal Plant
BXGF02531 Caragana tibetica Caragana tibetica Medicinal Plant
BXGF02538 Macrotyloma axillare Macrotyloma axillare Others
BXGF02555 Trigonostemon reidioides Trigonostemon reidioides Medicinal Plant
BXGF02581 Euphorbia ferganensis Euphorbia ferganensis Others
BXGF02594 Arachniodes dimorphophylla Arachniodes dimorphophylla Others
BXGF02608 Oreosolen wattii Oreosolen wattii Others
BXGF02649 Merendera sobolifera Merendera sobolifera Others
BXGF02742 Discaria crenata Discaria crenata Others
BXGF03078 Chrysanthemum x morifolium Chrysanthemum x morifolium Medicinal Plant
BXGF03472 Tropaeolum speciosum Tropaeolum speciosum Others
BXGF04120 Solanum bahamense Solanum bahamense Others
BXGF04247 Tinospora smilacina Tinospora smilacina Medicinal Plant
BXGF04408 Sarcomelicope argyrophylla Sarcomelicope argyrophylla Others
BXGF04698 Isodon rubescens Isodon rubescens Others
BXGF05516 Psorothamnus spinosus Psorothamnus spinosus Others
BXGF05751 Vatica diospyroides Vatica diospyroides Others
BXGF05819 Citrus aurantium Citrus aurantium Medicinal Plant
BXGF06041 Pithecellobium clypearia Pithecellobium clypearia Medicinal Plant
BXGF06221 Annona rensoniana Annona rensoniana Others
BXGF06238 Gardenia jasminoides Gardenia jasminoides 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