Streptpyrone A

Details

• Internal ID: 2704ffd8-7848-4430-bdfb-c38bbf7e1bc5
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: 6-benzyl-4-methylpyran-2-one
• SMILES (Canonical): CC1=CC(=O)OC(=C1)CC2=CC=CC=C2
• SMILES (Isomeric): CC1=CC(=O)OC(=C1)CC2=CC=CC=C2
• InChI: InChI=1S/C13H12O2/c1-10-7-12(15-13(14)8-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
• InChI Key: WFYCCNGMMNQOLT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₂O₂
• Molecular Weight: 200.23 g/mol
• Exact Mass: 200.083729621 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 2.60

Synonyms

• 6-benzyl-4-methylpyran-2-one
• RefChem:186009
• CHEMBL3343469
• SCHEMBL11857671
• CHEBI:205861
• BDBM50029554

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	96.45%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.21%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	93.49%	94.73%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	93.41%	95.50%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.08%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.39%	94.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.13%	91.11%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 21520193
• LOTUS: LTS0234890
• wikiData: Q105304255