Kurasoin B

Details

• Internal ID: e16dc953-c704-459f-9ccb-8fb5ab8bfb37
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
• IUPAC Name: 1-(1H-indol-3-yl)-4-phenylbutane-2,3-dione
• InChI: InChI=1S/C18H15NO2/c20-17(10-13-6-2-1-3-7-13)18(21)11-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2
• InChI Key: AWNMAACWZSNOOV-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₅NO₂
• Molecular Weight: 277.30 g/mol
• Exact Mass: 277.110278721 g/mol
• Topological Polar Surface Area (TPSA): 49.90 Ų
• XlogP: 2.80

Synonyms

• 1-(1H-indol-3-yl)-4-phenylbutane-2,3-dione
• CHEMBL1233879
• BDBM50492942
• Q27462086

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.83%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.72%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.36%	95.56%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	92.41%	94.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.16%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.75%	94.45%
CHEMBL2535	P11166	Glucose transporter	81.79%	98.75%
CHEMBL1781	P11387	DNA topoisomerase I	80.61%	97.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 4476324
• LOTUS: LTS0124872
• wikiData: Q27462086