Showing entry for Flavonoids


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002781
Compound NameFlavonoids
Structure
FormulaC15H12O2
InchiKeyZONYXWQDUYMKFB-UHFFFAOYSA-N
SMILESO=C1CC(OC2=CC=CC=C12)C1=CC=CC=C1
InchiInChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
IUPAC2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
Molecular Weight224.25
Pubchem Id10251
Chembl IdCHEMBL274318
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 50051358
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 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 16218 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 32000 - - -
reviewed BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 50100 - - -
reviewed BXGT007717 Aromatase reviewed Enzyme CYP19A1 - 28500 - -
reviewed BXGT007717 Aromatase reviewed Enzyme CYP19A1 - 8000 - -
reviewed BXGT007552 Androgen receptor reviewed Nuclear receptor AR - 20000 - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB - 2870 - -
reviewed BXGT007717 Aromatase reviewed Enzyme CYP19A1 - 28000 - -
reviewed BXGT008096 Androgen receptor reviewed Ar - 54954.09 - -
CHEMBL CHEMBL274318
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
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '=' 28500 nM
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a pKi(uM) - - -
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 2870 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 39810 nM
P14061 BXGT007979 Estradiol 17-beta-dehydrogenase 1 reviewed Enzyme HSD17B1 Activity '=' 110 %
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR EC150 '=' 380 uM
P15207 BXGT008096 Androgen receptor reviewed - Ar IC50 '=' 54954 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '=' 28000 nM
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 Ki '=' 50100 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 EC150 '=' 380 uM
P28647 BXGT009282 Adenosine receptor A3 reviewed - Adora3 Ratio '=' 0 -
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ratio '=' 0 -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition - - -
P14061 BXGT007979 Estradiol 17-beta-dehydrogenase 1 reviewed Enzyme HSD17B1 IC50 - - -
P37059 BXGT009957 Estradiol 17-beta-dehydrogenase 2 reviewed Enzyme HSD17B2 Activity '=' 70 %
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 pKi(uM) - - -
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 0 -
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 79432 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR IC50 '=' 20000 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 25118 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 35481 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Activity - - -
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 pKi(uM) '=' -1 -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4610 nM
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 32000 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '=' 8000 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 56234 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 14125 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 79 %
P80244 BXGT011887 ATP-dependent Clp protease proteolytic subunit reviewed - clpP Potency - 15848 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 22387 nM
P37059 BXGT009957 Estradiol 17-beta-dehydrogenase 2 reviewed Enzyme HSD17B2 IC50 - - -
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 76 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00068 Turmeric Curcuma longa Herbs and Spices
BXGF00079 Common buckwheat Fagopyrum esculentum Cereals and cereal products
BXGF00081 Fig Ficus carica Fruits
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF00119 Sweet basil Ocimum basilicum Herbs and Spices
BXGF00128 Passion fruit Passiflora edulis Fruits
BXGF00131 Parsley Petroselinum crispum Herbs and Spices
BXGF00142 Purslane Portulaca oleracea Herbs and Spices
BXGF00151 Pomegranate Punica granatum Fruits
BXGF00155 Blackcurrant Ribes nigrum Fruits
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
BXGF00387 Okra Abelmoschus esculentus Vegetables
BXGF00409 Rose hip Rosa Herbs and Spices
BXGF02852 Sophora flavescens Sophora flavescens Medicinal Plant
BXGF04964 Chrysanthemum morifolium Chrysanthemum morifolium Medicinal Plant
BXGF05369 Daemonorops draco Daemonorops draco 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