Showing entry for 3,4-Dihydroxyphenylacetic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000099
Compound Name3,4-Dihydroxyphenylacetic acid
Structure
FormulaC8H8O4
InchiKeyCFFZDZCDUFSOFZ-UHFFFAOYSA-N
SMILESOC(=O)CC1=CC(O)=C(O)C=C1
InchiInChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
IUPAC2-(3,4-dihydroxyphenyl)acetic acid
Molecular Weight168.15
Pubchem Id547
Chembl IdCHEMBL1284
Targets of Information Source
DrugBank DB01702
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
Q44048 BXGT014600 3,4-dihydroxyphenylacetate 2,3-dioxygenase unreviewed - mndD experimental -
Q45135 BXGT014613 Homoprotocatechuate 2,3-dioxygenase unreviewed - - experimental -
P06875 BXGT006520 Penicillin G acylase reviewed - pac experimental -
P00436 BXGT005536 Protocatechuate 3,4-dioxygenase alpha chain reviewed - pcaG experimental -
P00437 BXGT005537 Protocatechuate 3,4-dioxygenase beta chain reviewed - pcaH experimental -
PDB DHY
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
P06875 BXGT006520 Penicillin G acylase reviewed pac - 3130000 - - -
Q44048 BXGT014600 3,4-dihydroxyphenylacetate 2,3-dioxygenase unreviewed mndD - - - - -
Q45135 BXGT014613 Homoprotocatechuate 2,3-dioxygenase unreviewed - - - - -
P00437 BXGT005537 Protocatechuate 3,4-dioxygenase beta chain reviewed pcaH - - - - -
P00437 BXGT005537 Protocatechuate 3,4-dioxygenase beta chain reviewed pcaH - - - 220000 -
Binding DB 52946
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 BXGT022194 Zinc finger protein mex-5 reviewed mex-5 - - - 28895
reviewed BXGT008148 Intestinal-type alkaline phosphatase 1 reviewed Alpi - 4170 - -
reviewed BXGT006942 Intestinal-type alkaline phosphatase reviewed Enzyme ALPI - - - >100000
reviewed BXGT007603 Alkaline phosphatase, germ cell type reviewed Enzyme ALPG - - - >100000
reviewed BXGT006338 Alkaline phosphatase, tissue-nonspecific isozyme reviewed Enzyme ALPL - >100000 - -
reviewed BXGT008271 Prolyl 4-hydroxylase subunit alpha-1 reviewed P4HA1 9000 - - -
CHEMBL CHEMBL1284
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
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
Q9R1U7 BXGT021423 Solute carrier family 22 member 8 reviewed - Slc22a8 Activity '=' 8 %
P0A6C1 BXGT007045 Endonuclease 4 reviewed - nfo Potency '=' 22387 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 281 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 39810 nM
P09923 BXGT006942 Intestinal-type alkaline phosphatase reviewed Enzyme ALPI EC50 '>' 100000 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 50118 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 3548 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 6309 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 44668 nM
Q9XUB2 BXGT022194 Zinc finger protein mex-5 reviewed - mex-5 EC50 '=' 28895 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 22387 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 670 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 15848 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 3548 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 31622 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P40225 BXGT010168 Thrombopoietin reviewed - THPO Potency '=' 10000 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 25118 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 39810 nM
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 89125 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 7519 nM
P10696 BXGT007603 Alkaline phosphatase, germ cell type reviewed Enzyme ALPG EC50 '>' 100000 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 79432 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 7943 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 501 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 25118 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 31622 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Potency '=' 5623 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 11995 nM
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 Activity '=' 90 %
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 Activity '=' 90 %
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 Activity '=' 90 %
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 Activity '=' 90 %
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 Activity '=' 90 %
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 Activity '=' 90 %
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 Activity '=' 90 %
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 Activity '=' 90 %
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 Activity '=' 90 %
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 Activity '=' 90 %
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 Activity '=' 90 %
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 23934 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency '=' 1412 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 39810 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 35481 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 22387 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 39810 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 237 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 9528 nM
P24822 BXGT008996 Intestinal-type alkaline phosphatase reviewed - Iap IC50 '=' 4170 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 89125 nM
G5EF15 BXGT003524 Cytoplasmic zinc-finger protein unreviewed - pos-1 EC50 '=' 49832 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 3162 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 37685 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 56234 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 316 nM
O14924 BXGT004111 Regulator of G-protein signaling 12 reviewed - RGS12 Potency '=' 25118 nM
P63096 BXGT011496 Guanine nucleotide-binding protein G(i) subunit alpha-1 reviewed Enzyme modulator GNAI1 Potency '=' 25118 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 7943 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 10621 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 891 nM
P05186 BXGT006338 Alkaline phosphatase, tissue-nonspecific isozyme reviewed Enzyme ALPL IC50 '>' 100000 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 316 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 56234 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 28183 nM
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
BXGF00162 Red raspberry Rubus idaeus Fruits
BXGF00180 Tamarind Tamarindus indica Fruits
BXGF00193 Bilberry Vaccinium myrtillus Fruits
BXGF01185 Aloe vera Aloe vera Medicinal Plant
BXGF01900 Aloe ferox Aloe ferox 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