Showing entry for Mequinol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000531
Compound NameMequinol
Structure
FormulaC7H8O2
InchiKeyNWVVVBRKAWDGAB-UHFFFAOYSA-N
SMILESCOC1=CC=C(O)C=C1
InchiInChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
IUPAC4-methoxyphenol
Molecular Weight124.14
Pubchem Id9015
Chembl IdCHEMBL544
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 4KS
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
A0A182DW20 BXGT000698 PapG, lectin domain unreviewed G801_04654 - - - - -
Q8EBV3 BXGT018084 NAD(P)H:flavin oxidoreductase Sye4 unreviewed sye4 - - - - -
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 CHEMBL544
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
P02769 BXGT005956 Serum albumin reviewed - ALB Log 1/C '=' 3 -
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Km '=' 80000 nM
P0DTE4 BXGT022286 UDP-glucuronosyltransferase 2A1 reviewed - UGT2A1 Activity '=' 520 pm/min/mg
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Kcat/Km '=' 5139 -
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Km '=' 46760 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Kcat '=' 0 /s
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29855 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 42163 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 20596 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Kcat '=' 184 /s
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Kcat/Km '=' 2300 /mM/s
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00122 Sweet marjoram Origanum majorana Herbs and Spices
BXGF00137 Anise Pimpinella anisum Herbs and Spices
BXGF03348 Panax notoginseng Panax notoginseng Medicinal Plant
BXGF05853 Cannabis sativa Cannabis sativa 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