Glaciapyrrole C

Details

• Internal ID: 7155a584-9ac8-419d-818c-4e849af69264
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (2Z,4E)-3-methyl-5-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]-1-(1H-pyrrol-2-yl)penta-2,4-dien-1-one
• InChI: InChI=1S/C19H25NO2/c1-14(2)7-5-11-19(4)18(22-19)10-9-15(3)13-17(21)16-8-6-12-20-16/h6-10,12-13,18,20H,5,11H2,1-4H3/b10-9+,15-13-
• InChI Key: KQQPOPKROBUPQD-OFPSORBISA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₅NO₂
• Molecular Weight: 299.40 g/mol
• Exact Mass: 299.188529040 g/mol
• Topological Polar Surface Area (TPSA): 45.40 Ų
• XlogP: 4.50

Synonyms

• SCHEMBL13815014
• (2Z,4E)-3-methyl-5-[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]-1-(1H-pyrrol-2-yl)penta-2,4-dien-1-one

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	98.81%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.27%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.78%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.26%	94.45%
CHEMBL221	P23219	Cyclooxygenase-1	88.88%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	88.87%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.23%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.21%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.43%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.19%	89.00%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	81.88%	91.24%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.84%	100.00%
CHEMBL3922	P50579	Methionine aminopeptidase 2	81.16%	97.28%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11551159
• LOTUS: LTS0221011
• wikiData: Q77498458