3-Hydroxykynurenine

Details

• Internal ID: f86a85f0-22e7-497d-b97f-545b14d0987f
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
• IUPAC Name: 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
• InChI: InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
• InChI Key: VCKPUUFAIGNJHC-UHFFFAOYSA-N
• Popularity: 1,549 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂N₂O₄
• Molecular Weight: 224.21 g/mol
• Exact Mass: 224.07970687 g/mol
• Topological Polar Surface Area (TPSA): 127.00 Ų
• XlogP: -2.50

Synonyms

• 3-Hydroxy-dl-kynurenine
• 484-78-6
• 2147-61-7
• Hydroxykynurenine
• 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
• 3-(3-Hydroxyanthraniloyl)alanine
• dl-3-Hydroxykynurenine
• DL-3-Hydroxykyunrenine
• Kynurenine, 3-hydroxy-
• Kynurenine, 3-hydroxy (R,S)
• ALANINE, 3-(3-HYDROXYANTHRANILOYL)-
• CHEBI:1547
• NSC-96400
• 27723548JL
• 2-Amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoicacid
• .alpha.,2-Diamino-3-hydroxy-.gamma.-oxobenzenebutanoic acid
• CCRIS 4426
• 3-(3-hydroxyanthraniloyl)-alanine
• NSC 96400
• Hydroxykinurenine
• OH-Kynurenine
• Prestwick_659
• Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo-
• Prestwick0_000451
• Prestwick1_000451
• Prestwick2_000451
• Prestwick3_000451
• WLN: ZR BQ FV1YZVQ
• BSPBio_000522
• SCHEMBL180582
• SPBio_002461
• BPBio1_000576
• CHEMBL442576
• BCBcMAP01_000037
• EX-A7998H
• DTXSID00862009
• VCKPUUFAIGNJHC-UHFFFAOYSA-N
• HMS1569K04
• UNII-27723548JL
• NSC96400
• MFCD00047832
• 3-(2-amino-3-hydroxybenzoyl)alanine
• AKOS016004491
• SMP1_000159
• NCGC00179533-01
• MS-23258
• HY-113294
• CS-0059538
• FT-0634065
• C02794
• A815406
• A840809
• J-014094
• Q2815992
• Benzenebutanoic acid,2-diamino-3-hydroxy-.gamma.-oxo-
• alpha,2-Diamino-3-hydroxy-gamma-oxobenzenebutanoic acid
• Benzenebutanoic acid, .alpha.,2-diamino-3-hydroxy-.gamma.-oxo-
• 2-azanyl-4-(2-azanyl-3-oxidanyl-phenyl)-4-oxidanylidene-butanoic acid
• 2-Amino-4-(2-Amino-3-Hydroxy-Phenyl)-4-Oxo-Butanoic Acid; 2-Amino-4-(2-Amino-3-Hydroxy-Phenyl)-4-Keto-Butyric Acid; (+-)-Alpha,2-Diamino-3-Hydroxy-Gamma-Oxobenzenebutanoic Acid

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.26%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	93.84%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.93%	91.11%
CHEMBL2581	P07339	Cathepsin D	91.82%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.50%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.92%	99.15%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	87.52%	95.50%
CHEMBL3359	P21462	Formyl peptide receptor 1	85.80%	93.56%
CHEMBL1255126	O15151	Protein Mdm4	85.56%	90.20%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.29%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 89
• LOTUS: LTS0026053
• wikiData: Q2815992