Marinopyrone B

Details

• Internal ID: 944d4a53-3463-4ed0-bbe6-5e20f7e6a11c
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: 6-[(E,3R)-3-(hydroxymethyl)pent-1-enyl]-4-methoxy-3,5-dimethylpyran-2-one
• InChI: InChI=1S/C14H20O4/c1-5-11(8-15)6-7-12-9(2)13(17-4)10(3)14(16)18-12/h6-7,11,15H,5,8H2,1-4H3/b7-6+/t11-/m1/s1
• InChI Key: CSBBNRUVTGKGBP-XUIVZRPNSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₀O₄
• Molecular Weight: 252.31 g/mol
• Exact Mass: 252.13615911 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 1.70

Synonyms

• 6-[(E,3R)-3-(hydroxymethyl)pent-1-enyl]-4-methoxy-3,5-dimethylpyran-2-one
• 6-((E,3R)-3-(hydroxymethyl)pent-1-enyl)-4-methoxy-3,5-dimethylpyran-2-one
• RefChem:155861
• CHEBI:201355

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	91.09%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.59%	99.17%
CHEMBL2581	P07339	Cathepsin D	87.97%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.85%	96.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.08%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.31%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.98%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	80.03%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 132535200
• LOTUS: LTS0043196
• wikiData: Q77310204