1-Hydroxymethylindole-3-carboxylic acid

Details

• Internal ID: 08240198-4f8c-416b-9cd9-465adca6d331
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives
• IUPAC Name: 1-(hydroxymethyl)indole-3-carboxylic acid
• InChI: InChI=1S/C10H9NO3/c12-6-11-5-8(10(13)14)7-3-1-2-4-9(7)11/h1-5,12H,6H2,(H,13,14)
• InChI Key: OCSSNZMNGKCKHC-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.18 g/mol
• Exact Mass: 191.058243149 g/mol
• Topological Polar Surface Area (TPSA): 62.50 Ų
• XlogP: 0.90

Synonyms

There are no found synonyms.

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.56%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.97%	96.09%
CHEMBL2581	P07339	Cathepsin D	90.37%	98.95%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	87.91%	93.00%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	86.14%	87.67%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	85.95%	94.62%
CHEMBL1899	P46098	Serotonin 3a (5-HT3a) receptor	85.26%	100.00%
CHEMBL1811	P34995	Prostanoid EP1 receptor	84.23%	95.71%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	81.13%	94.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.11%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 84663052
• LOTUS: LTS0052396
• wikiData: Q104193239