Wisanine

Details

• Internal ID: 5fbb3487-35e9-439f-9cc4-81a85219d50a
• Taxonomy: Alkaloids and derivatives
• IUPAC Name: (2E,4E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
• InChI: InChI=1S/C18H21NO4/c1-21-15-12-17-16(22-13-23-17)11-14(15)7-3-4-8-18(20)19-9-5-2-6-10-19/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3/b7-3+,8-4+
• InChI Key: NCSVIEQJHMEYFR-FCXRPNKRSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₁NO₄
• Molecular Weight: 315.40 g/mol
• Exact Mass: 315.14705815 g/mol
• Topological Polar Surface Area (TPSA): 48.00 Ų
• XlogP: 3.10

Synonyms

• 61756-56-7
• (2E,4E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
• SCHEMBL3108957
• Piperidine, 1-(5-(6-methoxy-1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-

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
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	97.36%	96.77%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.66%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.18%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.60%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.48%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.28%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.99%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.18%	91.11%
CHEMBL230	P35354	Cyclooxygenase-2	89.11%	89.63%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	88.96%	83.57%
CHEMBL2581	P07339	Cathepsin D	88.50%	98.95%
CHEMBL2413	P32246	C-C chemokine receptor type 1	88.18%	89.50%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.95%	89.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	85.20%	92.62%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.28%	92.94%
CHEMBL4208	P20618	Proteasome component C5	82.10%	90.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.41%	90.71%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	80.55%	82.67%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	80.54%	90.24%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	80.35%	97.47%
CHEMBL5028	O14672	ADAM10	80.05%	97.50%

Plants that contains it

• Piper guineense

Cross-Links

• PubChem: 6441085
• LOTUS: LTS0135060
• wikiData: Q97118880