Showing entry for 3-Methoxy-4-hydroxyphenylacetic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001238
Compound Name3-Methoxy-4-hydroxyphenylacetic acid
Structure
FormulaC9H10O4
InchiKeyQRMZSPFSDQBLIX-UHFFFAOYSA-N
SMILESCOC1=CC(CC(O)=O)=CC=C1O
InchiInChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
IUPAC2-(4-hydroxy-3-methoxyphenyl)acetic acid
Molecular Weight182.17
Pubchem Id1738
Chembl IdCHEMBL1562
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 YTX
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
P68400 BXGT011599 Casein kinase II subunit alpha reviewed CSNK2A1 Kinase - - - -
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 CHEMBL1562
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
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 3548 nM
P19224 BXGT008468 UDP-glucuronosyltransferase 1-6 reviewed - UGT1A6 Activity '=' 0 pm/min/mg
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 Activity '=' 0 pm/min/mg
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 535 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
O88909 BXGT005288 Solute carrier family 22 member 8 reviewed - Slc22a8 Activity '=' 40 %
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 79432 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 6513 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Potency '=' 17 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency '=' 3 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 46 nM
P80244 BXGT011887 ATP-dependent Clp protease proteolytic subunit reviewed - clpP Potency - 10000 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 42284 nM
O88909 BXGT005288 Solute carrier family 22 member 8 reviewed - Slc22a8 Activity - - -
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 26654 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 25118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 8 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 8912 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
Q9R1U7 BXGT021423 Solute carrier family 22 member 8 reviewed - Slc22a8 Activity '=' 29 %
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 6 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 3162 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 47 nM
Q9R1U7 BXGT021423 Solute carrier family 22 member 8 reviewed - Slc22a8 Km '=' 274000 nM
P68400 BXGT011599 Casein kinase II subunit alpha reviewed Kinase CSNK2A1 deltaTm - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00121 Olive Olea europaea Vegetables
BXGF00130 Avocado Persea americana Vegetables
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00248 Beer Beverages
BXGF01185 Aloe vera Aloe vera Medicinal Plant
BXGF01506 Thymus quinquecostatus Thymus quinquecostatus Medicinal Plant
BXGF01900 Aloe ferox Aloe ferox Medicinal Plant
BXGF03689 Jatropha curcas Jatropha curcas Medicinal Plant
BXGF04631 Aloe spicata Aloe spicata Medicinal Plant
BXGF04926 Aloe africana Aloe africana 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