3-Hydroxy-3-methyl-4-methoxy-2-oxindol

Details

• Internal ID: e11ae3f0-4e2c-49e9-b24c-b370daa6bf44
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indolines
• IUPAC Name: 3-hydroxy-4-methoxy-3-methyl-1H-indol-2-one
• SMILES (Canonical): CC1(C2=C(C=CC=C2OC)NC1=O)O
• SMILES (Isomeric): CC1(C2=C(C=CC=C2OC)NC1=O)O
• InChI: InChI=1S/C10H11NO3/c1-10(13)8-6(11-9(10)12)4-3-5-7(8)14-2/h3-5,13H,1-2H3,(H,11,12)
• InChI Key: OTCVOVCBERGAOC-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.20 g/mol
• Exact Mass: 193.07389321 g/mol
• Topological Polar Surface Area (TPSA): 58.60 Ų
• XlogP: 0.40

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	96.05%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.94%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.01%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.95%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.53%	94.45%
CHEMBL1937	Q92769	Histone deacetylase 2	87.25%	94.75%
CHEMBL2581	P07339	Cathepsin D	87.07%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.27%	94.00%
CHEMBL2535	P11166	Glucose transporter	86.24%	98.75%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.31%	85.14%
CHEMBL1255126	O15151	Protein Mdm4	83.75%	90.20%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.15%	95.50%
CHEMBL4208	P20618	Proteasome component C5	80.31%	90.00%

Plants that contains it

• Capparis tomentosa

Cross-Links

• PubChem: 13887979
• LOTUS: LTS0104610
• wikiData: Q105199498