(R)-tropic acid

Details

• Internal ID: 74acf7cc-3bbd-4908-9e6f-525d7125e07f
• Taxonomy: Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives
• IUPAC Name: (2R)-3-hydroxy-2-phenylpropanoic acid
• SMILES (Canonical): C1=CC=C(C=C1)C(CO)C(=O)O
• SMILES (Isomeric): C1=CC=C(C=C1)[C@H](CO)C(=O)O
• InChI: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
• InChI Key: JACRWUWPXAESPB-QMMMGPOBSA-N
• Popularity: 1 reference 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: 0.80

Synonyms

• (R)-3-Hydroxy-2-phenylpropanoic acid
• (R)-tropic acid
• (2R)-3-hydroxy-2-phenylpropanoic acid
• D-Tropic acid
• Tropic acid, (+)-
• (+)-Tropic acid
• D-(+)-Tropic acid
• (R)-2-Phenyl-3-hydroxypropionic acid
• (+)-(R)-Tropic acid
• (R)-(+)-Tropic acid
• Tropic acid, (R)-(+)-
• (+)-3-Hydroxy-2-phenylpropionic acid
• QE0870Q3EQ
• UNII-QE0870Q3EQ
• Benzeneacetic acid, alpha-(hydroxymethyl)-, (alphaR)-
• MFCD00211261
• (+)-alpha-(Hydroxymethyl)benzeneacetic acid
• Benzeneacetic acid, alpha-(hydroxymethyl)-, (R)-
• SCHEMBL4198436
• CHEBI:30767
• DTXSID70169052
• JACRWUWPXAESPB-QMMMGPOBSA-N
• (R)-3-Hydroxy-2-phenylpropanoicacid
• TROPIC ACID (+)-FORM [MI]
• AKOS027326200
• (R)-3-Hydroxy-2-Phenylpropionic Acid
• BS-16038
• CS-0163148
• C91447
• EN300-321282
• (+)-.ALPHA.-(HYDROXYMETHYL)BENZENEACETIC ACID
• Q27113975
• BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (R)-
• BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (.ALPHA.R)-

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
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	93.28%	94.62%
CHEMBL221	P23219	Cyclooxygenase-1	91.87%	90.17%
CHEMBL2581	P07339	Cathepsin D	90.43%	98.95%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	89.82%	94.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.36%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.86%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.80%	91.11%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	81.99%	94.23%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.49%	99.17%
CHEMBL3902	P09211	Glutathione S-transferase Pi	80.70%	93.81%

Plants that contains it

• Mandragora officinarum
• Panax ginseng

Cross-Links

• PubChem: 643328
• LOTUS: LTS0199654
• wikiData: Q27113975