Lunacrine

Details

• Internal ID: a8aea371-f45a-487d-89ac-c312da905597
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Dihydrofuranoquinolines
• IUPAC Name: (2R)-8-methoxy-9-methyl-2-propan-2-yl-2,3-dihydrofuro[2,3-b]quinolin-4-one
• SMILES (Canonical): CC(C)C1CC2=C(O1)N(C3=C(C2=O)C=CC=C3OC)C
• SMILES (Isomeric): CC(C)[C@H]1CC2=C(O1)N(C3=C(C2=O)C=CC=C3OC)C
• InChI: InChI=1S/C16H19NO3/c1-9(2)13-8-11-15(18)10-6-5-7-12(19-4)14(10)17(3)16(11)20-13/h5-7,9,13H,8H2,1-4H3/t13-/m1/s1
• InChI Key: FMEKJMQGMONLTQ-CYBMUJFWSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₉NO₃
• Molecular Weight: 273.33 g/mol
• Exact Mass: 273.13649347 g/mol
• Topological Polar Surface Area (TPSA): 38.80 Ų
• XlogP: 3.30

Synonyms

• Lunacrin
• Lunacrine [MI]
• (-)-Lunacrine
• 82-40-6
• Lunacrine, (-)-
• UNII-8QKL3E9913
• 8QKL3E9913
• FURO(2,3-b)quinolin-4(2H)-one, 3,9-dihydro-8-methoxy-9-methyl-2-(1-methylethyl)-, (2R)-
• (2R)-8-methoxy-9-methyl-2-propan-2-yl-2,3-dihydrofuro[2,3-b]quinolin-4-one
• CHEBI:6564
• DTXSID30878032
• Q27107246

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
CHEMBL2581	P07339	Cathepsin D	98.09%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.84%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.20%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.80%	85.14%
CHEMBL2535	P11166	Glucose transporter	95.35%	98.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	93.29%	95.89%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.13%	97.25%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.76%	94.00%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	89.02%	97.14%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.95%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.41%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.02%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.92%	94.45%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	83.61%	92.62%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.96%	93.99%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.77%	96.00%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	80.77%	94.03%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.66%	100.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 442921
• LOTUS: LTS0052197
• wikiData: Q27107246