2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid

Details

• Internal ID: 569ffe77-0c5d-4262-8908-2ef226e26fee
• Taxonomy: Phenylpropanoids and polyketides > Phenylpropanoic acids
• IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
• SMILES (Canonical): C1=CC(=CC=C1CC(C(=O)O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1CC(C(=O)O)O)O
• InChI: InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
• InChI Key: JVGVDSSUAVXRDY-UHFFFAOYSA-N
• Popularity: 145 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: 0.30

Synonyms

• 306-23-0
• 3-(4-Hydroxyphenyl)lactic acid
• Hydroxyphenyllactic acid
• HPLA
• 4-Hydroxyphenyllactic acid
• dl-p-Hydroxyphenyllactic acid
• 2-Hydroxy-3-(p-hydroxyphenyl)propionic acid
• Lactic acid, (p-hydroxyphenyl)-
• beta-(p-Hydroxyphenyl)lactic acid
• p-Hydroxyphenyl lactic acid
• beta-(4-Hydroxyphenyl)lactic acid
• Lactic acid, 3-(p-hydroxyphenyl)-
• DL-4-Hydroxyphenyllactic Acid
• 6482-98-0
• 4-Hydroxyphenyllactate
• Hydroxyphenyllactate
• NSC 111175
• 3-(4-Hydroxyphenyl)-2-hydroxypropanoic acid
• DL-3-(4-Hydroxyphenyl)lactic acid
• (p-Hydroxyphenyl)lactic acid
• EP7PS9S776
• CHEBI:17385
• 2-Hydroxy-3-(4-hydroxyphenyl)propanoate
• .beta.-(p-Hydroxyphenyl)lactic acid
• .beta.-(4-Hydroxyphenyl)lactic acid
• MFCD00010514
• NSC-111175
• .alpha.,4-Dihydroxybenzenepropanoic acid
• Benzenepropanoic acid, .alpha.,4-dihydroxy-
• b-(4-hydroxyphenyl)lactic acid
• alpha,4-Dihydroxybenzenepropanoic acid
• 2-Hydroxy-3-(4-hydroxy-phenyl)-propionic acid
• 4-Hydroxy-Phenyllactate
• Benzenepropanoic acid, alpha,4-dihydroxy-
• DL-p-Hydroxyphenyllactate
• p-hydroxylphenyllactic acid
• b-(p-Hydroxyphenyl)lactate
• b-(4-Hydroxyphenyl)lactate
• UNII-EP7PS9S776
• 3-(p-hydroxyphenyl)-Lactate
• beta-(p-Hydroxyphenyl)lactate
• a,4-Dihydroxybenzenepropanoate
• beta-(4-Hydroxyphenyl)lactate
• SCHEMBL235131
• b-(p-Hydroxyphenyl)lactic acid
• DL-p-hydroxyphenyl lactic acid
• WLN: QVY1 & OR DQ
• b-(p-Hydroxyphenyl)-DL-lactate
• CHEMBL1162489
• DL-3-(4-Hydroxyphenyl)lactate
• JVGVDSSUAVXRDY-UHFFFAOYSA-
• 3-(4-Hydroxyphenyl)-DL-lactate
• 3-(p-hydroxyphenyl)-Lactic acid
• DTXSID10861861
• a,4-Dihydroxybenzenepropanoic acid
• (RS)-3-(4-Hydroxyphenyl)lactate
• beta-(p-Hydroxyphenyl)-DL-lactate
• b-(p-Hydroxyphenyl)-DL-lactic acid
• Lactic acid, 3-(4-hydroxyphenyl)-
• NSC111175
• 3-(4-Hydroxyphenyl)-DL-lactic acid
• AKOS000283821
• AKOS016842903
• BETA-P-HYDROXYPHENYLLACTIC ACID
• (RS)-3-(4-Hydroxyphenyl)lactic acid
• beta-(p-Hydroxyphenyl)-DL-lactic acid
• SB45742
• 2-Hydroxy-3-(p-hydroxyphenyl)propionate
• P-HYDROXYPHENYL LACTIC ACID, DL-
• AS-65803
• SY051842
• HY-113219
• 2-hydroxy-3-(4-hydroxyphenyl)propionic acid
• CS-0059336
• FT-0630272
• FT-0690509
• FT-0698203
• H0542
• 3-(4'-Hydroxyphenyl) 2-hydroxypropanoic acid
• P-HYDROXYPHENYL LACTIC ACID, (+/-)-
• 2-hydroxy-3-(4-hydroxy-phenyl)-propanoic acid
• A13912
• C03672
• D90895
• DL-p-Hydroxyphenyllactic acid, >=97% (HPLC)
• EN300-319194
• .BETA.-(P-HYDROXYPHENYL)-DL-LACTIC ACID
• (2S)-3-(4-Hydroxyphenyl)-2-hydroxypropionicacid
• (S)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic?acid
• 4-ISOTHIOCYANATOBENZOYL-DL-HOMOSERINELACTONE
• Q26385943
• 5C4B69A3-BB04-4B3B-B8E5-F443080B72AD
• (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid; (R)-3-(4-hydroxyphenyl)lactic acid; UNII-A3VOM7SS3C; (R)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid; A3VOM7SS3C
• (S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid; (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid; (2S)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid; Benzenepropanoic acid, alpha,4-dihydroxy-, (alphaS)-
• EN1
• InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)

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	96.54%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.57%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.99%	99.17%
CHEMBL1255126	O15151	Protein Mdm4	85.64%	90.20%
CHEMBL1944	P08473	Neprilysin	84.76%	92.63%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.73%	95.50%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	83.05%	94.62%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.92%	94.45%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.60%	100.00%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.27%	91.71%

Plants that contains it

• Arabidopsis thaliana
• Pterocarpus marsupium

Cross-Links

• PubChem: 9378
• LOTUS: LTS0188690
• wikiData: Q26385943