Pyrenocine D

Details

• Internal ID: 5879c6c7-1c40-45d8-8ef5-dc8d2f996fae
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: (E)-2-(4-methoxy-2-methyl-6-oxopyran-3-yl)but-2-enal
• InChI: InChI=1S/C11H12O4/c1-4-8(6-12)11-7(2)15-10(13)5-9(11)14-3/h4-6H,1-3H3/b8-4-
• InChI Key: CFTVNLCXUPFJDY-YWEYNIOJSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.21 g/mol
• Exact Mass: 208.07355886 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 0.70

Synonyms

• (E)-2-(4-methoxy-2-methyl-6-oxopyran-3-yl)but-2-enal

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	95.19%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.85%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.07%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.19%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	88.05%	94.73%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.48%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.63%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.30%	89.00%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.85%	97.21%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.10%	96.09%
CHEMBL4208	P20618	Proteasome component C5	80.50%	90.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10488565
• LOTUS: LTS0185642
• wikiData: Q75070243