2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid

Details

• Internal ID: 664f8a9d-b465-4440-b414-e99ddf6588f6
• Taxonomy: Phenylpropanoids and polyketides > Phenylpropanoic acids
• IUPAC Name: 2-hydroxy-3-(2-hydroxyphenyl)propanoic acid
• SMILES (Canonical): C1=CC=C(C(=C1)CC(C(=O)O)O)O
• SMILES (Isomeric): C1=CC=C(C(=C1)CC(C(=O)O)O)O
• InChI: InChI=1S/C9H10O4/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
• InChI Key: HXQBZGMVGIDZAJ-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₀O₄
• Molecular Weight: 182.17 g/mol
• Exact Mass: 182.05790880 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: 0.80

Synonyms

• 6803-09-4
• o-Hydroxyphenyllactic acid, DL-
• 46U0NJ4J85
• alpha,2-Dihydroxybenzenepropanoic acid
• Salicylglykolsaure
• DL-O-hydroxyphenyllactic acid
• SCHEMBL352381
• UNII-46U0NJ4J85
• CHEMBL457749
• DTXSID80987461
• CHEBI:173247
• HXQBZGMVGIDZAJ-UHFFFAOYSA-N
• HYDROXYPHENYLLACTIC ACID, O-
• O-HYDROXY-DL-PHENYLLACTIC ACID
• Benzenepropanoic acid, alpha,2-dihydroxy-
• 3-(2-hydroxyphenyl) 2-hydroxypropanoic acid
• O-HYDROXYPHENYLLACTIC ACID, (+/-)-
• EN300-1847135
• BENZENEPROPANOIC ACID, .ALPHA.,2-DIHYDROXY-
• (+/-)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid
• Q27258959

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
CHEMBL2581	P07339	Cathepsin D	95.09%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.81%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.55%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.21%	96.09%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	86.23%	94.62%
CHEMBL3401	O75469	Pregnane X receptor	83.43%	94.73%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.10%	99.15%

Plants that contains it

• Prunus cerasus

Cross-Links

• PubChem: 3083977
• LOTUS: LTS0180789
• wikiData: Q27258959