DL-Phenylalanine

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

Top

Internal ID	ab69d4d7-eaad-4c27-8edd-34cc5d8bcb29
Taxonomy	Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives
IUPAC Name	2-amino-3-phenylpropanoic acid
SMILES (Canonical)	C1=CC=C(C=C1)CC(C(=O)O)N
SMILES (Isomeric)	C1=CC=C(C=C1)CC(C(=O)O)N
InChI	InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
InChI Key	COLNVLDHVKWLRT-UHFFFAOYSA-N
Popularity	689 references in papers

Physical and Chemical Properties

Top

Molecular Formula	C₉H₁₁NO₂
Molecular Weight	165.19 g/mol
Exact Mass	165.078978594 g/mol
Topological Polar Surface Area (TPSA)	63.30 Å²
XlogP	-1.50

Synonyms

Top

150-30-1

2-amino-3-phenylpropanoic acid

DL-3-Phenylalanine

H-DL-Phe-OH

DLPA

Phenylalanine DL-form

Alanine, phenyl-, dl-

Phenylalanine, dl-

DL-2-Amino-3-phenylpropanoic acid

FEMA No. 3726

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	95.86%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	94.56%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.15%	96.09%
CHEMBL1255126	O15151	Protein Mdm4	90.26%	90.20%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.61%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.45%	95.50%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.27%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.18%	91.11%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	85.06%	94.62%
CHEMBL2327	P21452	Neurokinin 2 receptor	81.14%	98.89%

Plants that contains it

Top

Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.

Glinus oppositifolius

Glycine max

Kaempferia parviflora

Lemna aequinoctialis

Panax ginseng

Paris fargesii

Platycodon grandiflorus

Pseudostellaria heterophylla