5-(1-Carboxyethenoxy)-2-hydroxybenzoic acid

Details

• Internal ID: 2644b812-1772-4a84-b6b4-3553e1d32d08
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Phenoxyacetic acid derivatives
• IUPAC Name: 5-(1-carboxyethenoxy)-2-hydroxybenzoic acid
• SMILES (Canonical): C=C(C(=O)O)OC1=CC(=C(C=C1)O)C(=O)O
• SMILES (Isomeric): C=C(C(=O)O)OC1=CC(=C(C=C1)O)C(=O)O
• InChI: InChI=1S/C10H8O6/c1-5(9(12)13)16-6-2-3-8(11)7(4-6)10(14)15/h2-4,11H,1H2,(H,12,13)(H,14,15)
• InChI Key: BEGACNVZFBQZRM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₈O₆
• Molecular Weight: 224.17 g/mol
• Exact Mass: 224.03208797 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 2.70

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.76%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.74%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.85%	95.56%
CHEMBL4040	P28482	MAP kinase ERK2	92.03%	83.82%
CHEMBL3194	P02766	Transthyretin	90.94%	90.71%
CHEMBL4208	P20618	Proteasome component C5	88.42%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.48%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.94%	86.33%
CHEMBL1811	P34995	Prostanoid EP1 receptor	82.67%	95.71%

Plants that contains it

• Aster indicus

Cross-Links

• PubChem: 23727686
• LOTUS: LTS0066870
• wikiData: Q104932842