Scirpyrone C

Details

• Internal ID: 1af98124-881c-45f1-9b3c-c235b8cc5934
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones
• IUPAC Name: [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate
• InChI: InChI=1S/C11H16O6/c1-7(12)16-4-3-9(13)10-5-8(15-2)6-11(14)17-10/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m0/s1
• InChI Key: LQQPRBZJTPLMFL-UWVGGRQHSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₆
• Molecular Weight: 244.24 g/mol
• Exact Mass: 244.09468823 g/mol
• Topological Polar Surface Area (TPSA): 82.10 Ų
• XlogP: 0.10

Synonyms

There are no found synonyms.

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.77%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.74%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.24%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.46%	97.25%
CHEMBL2581	P07339	Cathepsin D	89.40%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.81%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.45%	99.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.25%	97.09%
CHEMBL340	P08684	Cytochrome P450 3A4	81.23%	91.19%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.10%	95.56%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.98%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 57409273
• LOTUS: LTS0125537
• wikiData: Q105155689