6-methoxy-1H-indole-4,7-dione

Details

• Internal ID: 84aa6eb2-552c-488f-87d0-693b2ce94d71
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives
• IUPAC Name: 6-methoxy-1H-indole-4,7-dione
• SMILES (Canonical): COC1=CC(=O)C2=C(C1=O)NC=C2
• SMILES (Isomeric): COC1=CC(=O)C2=C(C1=O)NC=C2
• InChI: InChI=1S/C9H7NO3/c1-13-7-4-6(11)5-2-3-10-8(5)9(7)12/h2-4,10H,1H3
• InChI Key: UVIWOIATAPBTCZ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.16 g/mol
• Exact Mass: 177.042593085 g/mol
• Topological Polar Surface Area (TPSA): 59.20 Ų
• XlogP: 0.80

Synonyms

• 137542-70-2
• 6-methoxy-4,7-indoloquinone
• DTXSID60438502
• 6-methoxy-1H-indole-4,7-quinone
• InChI=1/C9H7NO3/c1-13-7-4-6(11)5-2-3-10-8(5)9(7)12/h2-4,10H,1H

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
CHEMBL2581	P07339	Cathepsin D	95.45%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.16%	95.56%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	84.33%	96.67%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.73%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.59%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.68%	94.00%
CHEMBL2535	P11166	Glucose transporter	82.47%	98.75%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.86%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.51%	94.45%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.07%	96.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10352227
• LOTUS: LTS0072910
• wikiData: Q82254265