3-(3-Hydroxyphenyl)propanoic acid

Details

• Internal ID: d31d69ce-3ee0-4c6d-9d25-91dcb93254b6
• Taxonomy: Phenylpropanoids and polyketides > Phenylpropanoic acids
• IUPAC Name: 3-(3-hydroxyphenyl)propanoic acid
• SMILES (Canonical): C1=CC(=CC(=C1)O)CCC(=O)O
• SMILES (Isomeric): C1=CC(=CC(=C1)O)CCC(=O)O
• InChI: InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
• InChI Key: QVWAEZJXDYOKEH-UHFFFAOYSA-N
• Popularity: 156 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.17 g/mol
• Exact Mass: 166.062994177 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 1.40

Synonyms

• 621-54-5
• 3-(3-hydroxyphenyl)propionic acid
• Benzenepropanoic acid, 3-hydroxy-
• Dihydro-3-coumaric acid
• 3-Hydroxybenzenepropanoic acid
• 3-(m-Hydroxyphenyl)propionic acid
• m-hydroxyphenylpropionic acid
• 3-hydroxyhydrocinnamic acid
• HYDROCINNAMIC ACID, m-HYDROXY-
• 3-Hydroxyphenylpropionic acid
• beta-(m-Hydroxyphenyl)propionic acid
• beta-(3-Hydroxyphenyl)propionic acid
• NSC 33135
• NSC 39468
• m-hydrocoumaric acid
• .beta.-(m-Hydroxyphenyl)propionic acid
• Dihydro-m-coumaric acid
• 3-Hydroxyphenylpropanoate
• MFCD00016554
• .beta.-(3-Hydroxyphenyl)propionic acid
• FJ68OF1P7C
• 3-Hydroxydihydrocinnamic acid
• 3-hydroxy-benzenepropanoic acid
• CHEBI:1427
• 3-(3-hydroxy-phenyl)-propionic acid
• NSC-33135
• NSC-39468
• 3-(3-Hydroxy-phenyl)-propanoic acid
• m-hydroxyphenylpropionate
• m-hydroxy-hydrocinnamic acid
• EINECS 210-692-8
• UNII-FJ68OF1P7C
• BRN 1947445
• AI3-32395
• Dihydro-m-coumarate
• m-hydroxy-Hydrocinnamate
• 3-Hydroxydihydrocinnamate
• 3-Hydroxyphenylpropionate
• 3-Hydroxybenzenepropanoate
• SCHEMBL65250
• 4-10-00-00630 (Beilstein Handbook Reference)
• b-(m-Hydroxyphenyl)propionate
• 3-(m-Hydroxyphenyl)propionate
• b-(3-Hydroxyphenyl)propionate
• CHEMBL134401
• beta-(m-Hydroxyphenyl)propionate
• beta-(3-Hydroxyphenyl)propionate
• 3-(3-hydroxyphenyl)propanoicacid
• DTXSID00211154
• 3-(3-Hydroxy-phenyl)-propanoate
• b-(m-Hydroxyphenyl)propionic acid
• b-(3-Hydroxyphenyl)propionic acid
• NSC33135
• NSC39468
• 3-(3'-hydroxyphenyl)propionic acid
• 3-(3-hydroxyphenyl)-propionic acid
• s6074
• AKOS000172844
• CS-W005255
• DS-1833
• HY-W005255
• SY022016
• AM20040880
• FT-0602143
• EN300-235651
• AN-651/40987637
• Q10395558
• 3-(3-Hydroxyphenyl)propionic acid, >=98.0% (qNMR)
• F2119-0005
• Z317038038
• InChI=1/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12

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	97.93%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.66%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.40%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.36%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.98%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.44%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.83%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	85.05%	94.73%
CHEMBL1255126	O15151	Protein Mdm4	84.93%	90.20%
CHEMBL2535	P11166	Glucose transporter	83.92%	98.75%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.72%	95.50%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	80.43%	91.71%

Plants that contains it

• Ginkgo biloba

Cross-Links

• PubChem: 91
• LOTUS: LTS0135668
• wikiData: Q10395558