Showing entry for Isoorientin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0006062
Compound NameIsoorientin
Structure
FormulaC21H20O11
InchiKeyODBRNZZJSYPIDI-UHFFFAOYSA-N
SMILESOCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O
InchiInChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2
IUPAC2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Molecular Weight448.38
Pubchem Id6426860
Chembl IdCHEMBL1302308
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 60724
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 BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 196.73 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 1547 - -
CHEMBL CHEMBL1302308
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
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 50118 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 15848 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 19952 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 19952 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 79432 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 25118 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 10000 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 14125 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 1122 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 3162 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 3162 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 22334 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 31622 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 42284 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 11220 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 2818 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 31622 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 4466 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 7943 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 39810 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 112201 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 112201 nM
Q9H0H5 BXGT020436 Rac GTPase-activating protein 1 reviewed Enzyme modulator RACGAP1 IC50 - 42940 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 35481 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 19011 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 19952 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 14125 nM
P03070 BXGT006016 Large T antigen reviewed - IC50 - 5230 nM
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
BXGF00065 Cucumber Cucumis sativus Gourds
BXGF00079 Common buckwheat Fagopyrum esculentum Cereals and cereal products
BXGF00088 Barley Hordeum vulgare Cereals and cereal products
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF00121 Olive Olea europaea Vegetables
BXGF00137 Anise Pimpinella anisum Herbs and Spices
BXGF00141 Common pea Pisum sativum Pulses
BXGF00180 Tamarind Tamarindus indica Fruits
BXGF00186 Fenugreek Trigonella foenum-graecum Herbs and Spices
BXGF00403 Prairie turnip Pediomelum esculentum Vegetables
BXGF00420 Common salsify Tragopogon porrifolius Vegetables
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF00823 Fruits Fruits
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