Platydesminium

Details

• Internal ID: e30a2c46-c0b9-4d35-b4b1-af65a0704adb
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Dihydrofuranoquinolines
• IUPAC Name: 2-(4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl)propan-2-ol
• SMILES (Canonical): CC(C)(C1CC2=C(C3=CC=CC=C3[N+](=C2O1)C)OC)O
• SMILES (Isomeric): CC(C)(C1CC2=C(C3=CC=CC=C3[N+](=C2O1)C)OC)O
• InChI: InChI=1S/C16H20NO3/c1-16(2,18)13-9-11-14(19-4)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13,18H,9H2,1-4H3/q+1
• InChI Key: HXSFUGOHWOKESA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₀NO₃+
• Molecular Weight: 274.33 g/mol
• Exact Mass: 274.14431850 g/mol
• Topological Polar Surface Area (TPSA): 42.60 Ų
• XlogP: 2.60

Synonyms

• 23536-30-3
• Furo(2,3-b)quinolinium, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methyl-, (R)-
• CHEBI:174620
• 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2H,3H-furo[2,3-b]quinolin-9-ium
• 2-(4-methoxy-9-methyl-2,3-dihydrouro[2,3-b]quinolin-9-ium-2-yl)propan-2-ol

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	98.68%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.36%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.80%	85.14%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.12%	86.33%
CHEMBL2535	P11166	Glucose transporter	84.09%	98.75%
CHEMBL3401	O75469	Pregnane X receptor	83.69%	94.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.57%	94.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	83.48%	92.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.26%	96.09%
CHEMBL2581	P07339	Cathepsin D	81.42%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.03%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.06%	97.25%

Plants that contains it

• Choisya ternata

Cross-Links

• PubChem: 5319758
• LOTUS: LTS0046935
• wikiData: Q105035132