3-Iodo-L-Tyrosine

Details

• Internal ID: 3d157c14-d2a3-4193-8dd3-bb801d305ceb
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives
• IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
• InChI: InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
• InChI Key: UQTZMGFTRHFAAM-ZETCQYMHSA-N
• Popularity: 775 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₀INO₃
• Molecular Weight: 307.08 g/mol
• Exact Mass: 306.97054 g/mol
• Topological Polar Surface Area (TPSA): 83.60 Ų
• XlogP: -1.10

Synonyms

• 70-78-0
• H-Tyr(3-I)-OH
• 3-IODOTYROSINE
• L-Tyrosine, 3-iodo-
• Monoiodotyrosine
• (S)-2-Amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
• 3-IODO-TYROSINE
• IODOTYROSINE
• 3-Monoiodo-L-tyrosine
• (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
• 3-Iodo-4-hydroxyphenylalanine
• Tyrosine, 3-iodo-, L-
• Tyrosine, 3-iodo-
• MLS000069664
• FRQ98U4U27
• CHEBI:27847
• H-3-Iodo-Tyr-OH
• SMR000059143
• IYR
• MFCD00002608
• UNII-FRQ98U4U27
• NSC-210787
• EINECS 200-744-8
• L-Tyrosine-3-iodo
• IOTYROSINE
• NSC 210787
• bmse000337
• Lopac0_000673
• 3-IODOTYROSINE [MI]
• 4-Hydroxy-3-iodophenylalanine
• SCHEMBL159412
• 3-Iodo-L-tyrosine (I-Tyr)
• CHEMBL479789
• cid_439744
• DTXSID1075353
• BDBM37633
• 4-Hydroxy-3-iodophenylalanine #
• HMS3262G07
• Tox21_500673
• S(-)-3-Iodo-4-hydroxyphenylalanine
• s6044
• H-Tyr(3-l)-OH 3-Iodo-L-tyrosine
• AKOS015919312
• AC-7495
• AM83577
• CCG-204759
• CS-W008452
• DB01758
• HY-W008452
• LP00673
• SDCCGSBI-0050652.P002
• NCGC00022269-03
• NCGC00022269-04
• NCGC00022269-05
• NCGC00022269-06
• NCGC00261358-01
• AS-18515
• 3-Iodo-L-tyrosine, >=99.0% (HPLC)
• EU-0100673
• I0075
• C02515
• I 8250
• I-7700
• M06129
• EN300-6495864
• Q410703
• SR-01000075606
• SR-01000075606-1
• (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoate
• Z1269198907
• (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propionic acid
• (2S)-2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoic acid
• 1E933C28-2631-4076-821D-3F47E9A1B023

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293237	P54132	Bloom syndrome protein	2.8 nM	Potency	via Super-PRED
CHEMBL1293232	Q16637	Survival motor neuron protein	501.2 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.24%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	95.76%	99.15%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.73%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.12%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.83%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.65%	99.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	89.10%	96.95%
CHEMBL3492	P49721	Proteasome Macropain subunit	87.15%	90.24%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	86.77%	92.29%
CHEMBL1255126	O15151	Protein Mdm4	85.68%	90.20%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.67%	97.21%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.28%	95.50%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.21%	95.56%
CHEMBL236	P41143	Delta opioid receptor	82.85%	99.35%
CHEMBL4040	P28482	MAP kinase ERK2	82.71%	83.82%
CHEMBL1951	P21397	Monoamine oxidase A	80.58%	91.49%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	80.56%	94.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 439744
• LOTUS: LTS0133688
• wikiData: Q410703