4-Hydroxyphenylacetic acid

Details

Top
Internal ID bc1f5473-7777-492a-bf77-86590871c7b6
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name 2-(4-hydroxyphenyl)acetic acid
SMILES (Canonical) C1=CC(=CC=C1CC(=O)O)O
SMILES (Isomeric) C1=CC(=CC=C1CC(=O)O)O
InChI InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChI Key XQXPVVBIMDBYFF-UHFFFAOYSA-N
Popularity 1,637 references in papers

Physical and Chemical Properties

Top
Molecular Formula C8H8O3
Molecular Weight 152.15 g/mol
Exact Mass 152.047344113 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 0.80

Synonyms

Top
156-38-7
2-(4-hydroxyphenyl)acetic acid
p-hydroxyphenylacetic acid
(4-Hydroxyphenyl)acetic acid
benzeneacetic acid, 4-hydroxy-
4-Hydroxybenzeneacetic acid
4-hydroxyphenylacetate
(p-Hydroxyphenyl)acetic acid
Parahydroxy phenylacetic acid
4-Carboxymethylphenol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 4-Hydroxyphenylacetic acid

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL205 P00918 Carbonic anhydrase II 10300 nM
Ki
PMID: 21332115

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 93.62% 98.95%
CHEMBL2216739 Q92523 Carnitine O-palmitoyltransferase 1, muscle isoform 92.25% 88.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.29% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.63% 94.62%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.15% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.47% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.69% 95.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.03% 95.56%

Cross-Links

Top
PubChem 127
NPASS NPC52472
ChEMBL CHEMBL1772
LOTUS LTS0272177
wikiData Q4637160