Sodium 4-hydroxybenzoate

Details

• Internal ID: d2c877f9-b104-41d7-82c1-d2d0f4b66a5a
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
• IUPAC Name: sodium 4-hydroxybenzoate
• InChI: InChI=1S/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
• InChI Key: ZLVSYODPTJZFMK-UHFFFAOYSA-M
• Popularity: 49 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₅NaO₃
• Molecular Weight: 160.10 g/mol
• Exact Mass: 160.01363830 g/mol
• Topological Polar Surface Area (TPSA): 60.40 Ų
• XlogP: 0.00

Synonyms

• Sodium p-hydroxybenzoate
• 4-Hydroxybenzoic acid sodium salt
• sodium paraben
• Benzoic acid, 4-hydroxy-, monosodium salt
• Monosodium p-hydroxybenzoate
• p-Hydroxybenzoic acid sodium salt
• Monosodium 4-hydroxybenzoate
• Benzoic acid, 4-hydroxy-, sodium salt (1:1)
• EINECS 204-051-1
• p-hydroxybenzoic acid monosodium salt
• V6102T509B
• DTXSID3059426
• BENZOIC ACID, p-HYDROXY-, SODIUM SALT
• CHEBI:113449
• SODIUM 4-HYDROXYBENZOIC ACID
• BENZOIC ACID, P-HYDROXY-, MONOSODIUM SALT
• RefChem:887100
• SODIUM PARABEN [INCI]
• DTXCID5033337
• 114-63-6
• sodium;4-hydroxybenzoate
• C7H5NaO3
• CHEMBL1762656
• UNII-V6102T509B
• sodium parahydroxybenzoate
• 4-Hydroxybenzoic acid sodium
• SCHEMBL381913
• SODIUM4-HYDROXYBENZOATE
• orb2941099
• MSK40175
• AKOS003051801
• AKOS015888195
• AKOS022190835
• CS-W010880
• FH46993
• HY-W010164
• AS-65704
• H0221
• NS00079031
• Sodium 4-hydroxybenzoate, analytical standard
• D71249
• Q27194146
• p-Hydroxybenzoic acid sodium salt;Sodium 4-hydroxybenzoate

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL261	P00915	Carbonic anhydrase I	7610 nM	Ki	PMID: 21402476
CHEMBL205	P00918	Carbonic anhydrase II	7280 nM	Ki	PMID: 21402476

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	84.88%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.22%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.04%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.20%	99.17%
CHEMBL3194	P02766	Transthyretin	81.85%	90.71%
CHEMBL4208	P20618	Proteasome component C5	81.70%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.52%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16219477
• NPASS: NPC184658
• ChEMBL: CHEMBL1762656