2-Hydroxyphenylacetic acid

Details

• Internal ID: d56c348e-1d1b-4bed-a974-d69011749559
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Phenylacetic acids > 2(hydroxyphenyl)acetic acids
• IUPAC Name: 2-(2-hydroxyphenyl)acetic acid
• SMILES (Canonical): C1=CC=C(C(=C1)CC(=O)O)O
• SMILES (Isomeric): C1=CC=C(C(=C1)CC(=O)O)O
• InChI: InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
• InChI Key: CCVYRRGZDBSHFU-UHFFFAOYSA-N
• Popularity: 356 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₈O₃
• Molecular Weight: 152.15 g/mol
• Exact Mass: 152.047344113 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 0.90

Synonyms

• 614-75-5
• 2-(2-hydroxyphenyl)acetic acid
• (2-Hydroxyphenyl)acetic acid
• 2-Hydroxybenzeneacetic acid
• Benzeneacetic acid, 2-hydroxy-
• O-HYDROXYPHENYLACETIC ACID
• 2-Hydroxyphenylacetate
• Acetic acid, (o-hydroxyphenyl)-
• (o-Hydroxyphenyl)acetic acid
• ortho-Hydroxyphenylacetic acid
• Hydroxyphenylacetic acid
• 2-HPAA
• o-Hydroxy phenylacetic acid
• MFCD00004323
• UNII-UK3R9Q59AV
• UK3R9Q59AV
• CHEMBL240714
• CHEBI:28478
• EINECS 210-393-2
• NSC 62000
• NSC-62000
• (2-HYDROXYPHENYL)-ACETIC ACID
• 2-Hydroxyphenylaceticacid
• (o-Hydroxyphenyl)acetate
• 2-hydroxy phenylacetic acid
• OHP
• 2-Hydroxybenzeneacetate
• (o-hydroxyphenyl)-Acetate
• bmse000715
• 2'-hydroxyphenylacetic acid
• 2-hydroxy-phenylacetic acid
• 2-Hydroxyphenyl acetic acid
• 2-hydroxy-benzeneacetic acid
• SCHEMBL72309
• 2-(Hydroxyphenyl)acetic acid
• (o-hydroxyphenyl)-Acetic acid
• Acetic acid, 2-hydroxyphenyl-
• (2-hydroxy-phenyl)-acetic acid
• DTXSID1060633
• BDBM16426
• NSC62000
• HYDROXYPHENYLACETIC ACID, O-
• s6154
• STL301502
• AKOS004909470
• AC-2695
• CS-W016306
• FS-2587
• HY-W015590
• BP-13099
• PD099467
• AM20060692
• FT-0612632
• H0340
• EN300-50865
• A26509
• C05852
• H-7080
• 2-hydroxy-benzeneaceticaci;2-hydroxyphenylacetate
• 2-Hydroxyphenylacetic acid, ReagentPlus(R), 99%
• Q27103728
• 7C10F5F6-7BF6-48EE-85EE-22D3FA4D62B1
• Z608061328
• 2-Hydroxyphenylacetic acid, Vetec(TM) reagent grade, 98%
• InChI=1/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11

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
CHEMBL1900	P15121	Aldose reductase	3500 nM	IC50	PMID: 17870536

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%
CHEMBL2581	P07339	Cathepsin D	92.00%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.62%	95.56%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	87.92%	94.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.48%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	83.27%	90.17%

Plants that contains it

• Aloe africana
• Aloe ferox
• Aloe spicata
• Aloe vera
• Astilbe rubra
• Oenothera elata subsp. hookeri
• Pinus mugo
• Secamone afzelii
• Tragopogon pratensis

Cross-Links

• PubChem: 11970
• NPASS: NPC13426
• ChEMBL: CHEMBL240714
• LOTUS: LTS0077461
• wikiData: Q27103728