Indole-3-lactic acid

Details

• Internal ID: 30f70b8a-49d4-4106-8eb9-89523440cca8
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives
• IUPAC Name: 2-hydroxy-3-(1H-indol-3-yl)propanoic acid
• InChI: InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
• InChI Key: XGILAAMKEQUXLS-UHFFFAOYSA-N
• Popularity: 423 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₁NO₃
• Molecular Weight: 205.21 g/mol
• Exact Mass: 205.07389321 g/mol
• Topological Polar Surface Area (TPSA): 73.30 Ų
• XlogP: 1.50

Synonyms

• 1821-52-9
• dl-Indole-3-lactic acid
• 2-Hydroxy-3-(1H-indol-3-yl)propanoic acid
• Indolelactic acid
• 832-97-3
• 3-Indolelactic acid
• indole-3-lactate
• Indolelactate
• 3-(Indol-3-yl)lactic acid
• alpha-Hydroxy-1H-indole-3-propanoic acid
• .beta.-Indolyllactic acid
• 5SW11R7M7M
• CHEBI:24813
• (1)-alpha-Hydroxy-1H-indole-3-propionic acid
• 1H-Indole-3-propanoic acid, .alpha.-hydroxy-
• indole lactate
• 3-(3-Indolyl)-2-hydroxypropanoic acid
• 1H-Indole-3-propanoic acid, alpha-hydroxy-
• 1H-Indole-3-propanoic acid, a-hydroxy-, (A+/-)-
• UNII-5SW11R7M7M
• Indoleglycollic acid
• EINECS 212-627-9
• EINECS 217-347-0
• 3-Indolyllactic acid
• 2-hydroxy-3-indol-3-ylpropanoic acid
• 3-Indole-lactic Acid
• bmse000409
• 3-(3-Indolyl)lactic Acid
• TimTec1_004067
• MLS000515793
• 3-INDO-LYLLACTIC ACID
• SCHEMBL578606
• CHEMBL485011
• .beta.-(3-Indolyl)lactic acid
• BDBM31881
• DTXSID70862758
• DL-Indole-3-lactic acid, 99%
• XGILAAMKEQUXLS-UHFFFAOYSA-N
• HMS1545I19
• HMS2267B22
• BCP29310
• INDOLE-3-LACTIC ACID, DL-
• MFCD00005642
• MFCD09839710
• AKOS015854458
• SB46425
• 2-Hydroxy-3-(3-indolyl)propionic Acid
• 3-(3-Indolyl)-2-hydroxypropionic acid
• 3-(3-INDOLYL)-DL-LACTIC ACID
• NCGC00247041-01
• AS-47850
• SMR000112267
• SY277562
• HY-113099
• CS-0059568
• FT-0625396
• FT-0633858
• I0031
• 2-HYDROXY-3-(3-INDOLYL)PROPANOIC ACID
• C02043
• F16362
• I-3000
• .ALPHA.-HYDROXY-1H-INDOLE-3-PROPANOIC ACID
• BRD-A61478466-001-01-6
• Q27109857
• F2147-5460
• 543E5D98-4FD0-4CA4-85A7-2A826EC027F5
• 3-AMINO-3-[5-(3,4-DICHLOROPHENYL)-FURAN-2-YL]-PROPIONICACID
• Indole-3-lactic acid;Indolelactic acid;2-Hydroxy-3-(1H-indol-3-yl)propanoic acid

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
CHEMBL1293232	Q16637	Survival motor neuron protein	891.3 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	96.34%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.13%	98.95%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	93.39%	94.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.73%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.50%	96.09%
CHEMBL1255126	O15151	Protein Mdm4	87.03%	90.20%
CHEMBL213	P08588	Beta-1 adrenergic receptor	86.70%	95.56%
CHEMBL2535	P11166	Glucose transporter	82.85%	98.75%
CHEMBL3310	Q96DB2	Histone deacetylase 11	82.39%	88.56%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.10%	89.62%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.17%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 92904
• LOTUS: LTS0187665
• wikiData: Q27109857