3-Hydroxyphenylacetic acid

Details

• Internal ID: 62982c41-3c41-421d-9430-3ca78b450de0
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids
• IUPAC Name: 2-(3-hydroxyphenyl)acetic acid
• SMILES (Canonical): C1=CC(=CC(=C1)O)CC(=O)O
• SMILES (Isomeric): C1=CC(=CC(=C1)O)CC(=O)O
• InChI: InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
• InChI Key: FVMDYYGIDFPZAX-UHFFFAOYSA-N
• Popularity: 325 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

• 621-37-4
• 2-(3-hydroxyphenyl)acetic acid
• (3-Hydroxyphenyl)acetic acid
• 3-Hydroxybenzeneacetic acid
• (m-Hydroxyphenyl)acetic acid
• Benzeneacetic acid, 3-hydroxy-
• M-HYDROXYPHENYLACETIC ACID
• 3-Hydroxyphenylacetate
• Acetic acid, (m-hydroxyphenyl)-
• Metahydroxy phenylacetic acid
• (3-Hydroxy-phenyl)-acetic acid
• MFCD00004337
• K59Z6Z8REF
• CHEMBL190035
• CHEBI:17445
• NSC-14360
• m-hydroxyphenylacetate
• 3-Hydroxyphenylaceticacid
• 3HP
• EINECS 210-684-4
• NSC 14360
• UNII-K59Z6Z8REF
• 3pce
• 3-hydroxy-benzeneacetate
• bmse000339
• 3-hydroxy phenylacetic acid
• 3-hydroxy-phenylacetic acid
• 3-hydroxyphenyl acetic acid
• (3-hydroxy-phenyl)-acetate
• 3-hydroxy-benzeneacetic acid
• (3-hydroxy)phenylacetic acid
• 3-hydroxy phenyl acetic acid
• 3-hydroxy-phenyl acetic acid
• 3-Hydroxy-phenyl-acetic acid
• SCHEMBL337470
• Acetic acid, 3-hydroxyphenyl-
• HMDB00440
• 2-(3-hydroxyphenyl)-acetic acid
• DTXSID90211148
• 3'-HYDROXYPHENYLACETIC ACID
• NSC14360
• 3-Hydroxyphenylacetic acid, >=99%
• AB3840
• BDBM50168283
• s3364
• AKOS005259462
• CS-W001083
• HY-W001083
• PS-3166
• Benzeneacetic acid, 3-hydroxy- (9CI)
• Acetic acid, (m-hydroxyphenyl)- (8CI)
• AC-23554
• BP-30187
• PD098600
• SY013505
• A8594
• AM20061198
• FT-0615854
• H0356
• EN300-54805
• C05593
• AE-562/43460507
• W-105043
• Q10395566
• Z816000338
• 2-(3-hydroxyphenyl)acetic acid;3-Hydroxyphenylacetic acid
• 91827D95-20B5-4654-B5F1-90598A532D49
• InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)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:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	97.23%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.34%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.13%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.98%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.70%	86.33%
CHEMBL2216739	Q92523	Carnitine O-palmitoyltransferase 1, muscle isoform	87.66%	88.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.86%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	84.01%	94.73%
CHEMBL2535	P11166	Glucose transporter	83.07%	98.75%
CHEMBL221	P23219	Cyclooxygenase-1	82.27%	90.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.33%	95.50%

Plants that contains it

• Ginkgo biloba

Cross-Links

• PubChem: 12122
• LOTUS: LTS0083216
• wikiData: Q10395566