Lycodine

Details

• Internal ID: f78eff4a-d522-49b5-89a9-63cb99641499
• Taxonomy: Organoheterocyclic compounds > Phenanthrolines
• IUPAC Name: (1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
• SMILES (Canonical): CC1CC2CC3=C(C=CC=N3)C4(C1)C2CCCN4
• SMILES (Isomeric): C[C@@H]1C[C@H]2CC3=C(C=CC=N3)[C@@]4(C1)[C@@H]2CCCN4
• InChI: InChI=1S/C16H22N2/c1-11-8-12-9-15-14(5-2-6-17-15)16(10-11)13(12)4-3-7-18-16/h2,5-6,11-13,18H,3-4,7-10H2,1H3/t11-,12+,13-,16-/m1/s1
• InChI Key: JJPMUZRSJKMFRK-OQMKEHIESA-N
• Popularity: 19 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₂N₂
• Molecular Weight: 242.36 g/mol
• Exact Mass: 242.178298710 g/mol
• Topological Polar Surface Area (TPSA): 24.90 Ų
• XlogP: 2.60

Synonyms

• 20316-18-1
• 7K0NX2M1NN
• C09876
• (1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
• (1S,9R,10R,16R)-16-Methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
• UNII-7K0NX2M1NN
• LYCODINE [MI]
• LYCODINE, (-)-
• SureCN12487986
• CHEBI:6591
• SCHEMBL12487986
• DTXSID90942465
• AKOS040752797
• Q5975178
• 12-Methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-propano-1,7-phenanthroline
• (4AR-(4A.ALPHA.,5.ALPHA.,10B.ALPHA.,12R*))-2,3,4,4A,5,6-HEXAHYDRO-12-METHYL-1H-5,10B-PROPANO-1,7-PHENANTHROLINE
• 1H-5,10B-PROPANO-1,7-PHENANTHROLINE, 2,3,4,4A,5,6-HEXAHYDRO-12-METHYL-, (4AR,5S,10BR,12R)-
• 1H-5,10b-Propano-1,7-phenanthroline, 2,3,4,4a,5,6-hexahydro-12-methyl-, (4aR-(4aalpha,5alpha,10balpha,12R*))-

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	97.04%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	96.38%	97.09%
CHEMBL1914	P06276	Butyrylcholinesterase	90.91%	95.00%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	90.85%	96.39%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.48%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.95%	91.11%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	88.28%	94.62%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.54%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.16%	86.33%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	84.30%	90.71%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.89%	85.14%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.95%	95.89%
CHEMBL2535	P11166	Glucose transporter	81.68%	98.75%
CHEMBL2492	P36544	Neuronal acetylcholine receptor protein alpha-7 subunit	80.66%	88.42%
CHEMBL1907601	P11802	Cyclin-dependent kinase 4/cyclin D1	80.46%	98.99%
CHEMBL3920	Q04759	Protein kinase C theta	80.40%	97.69%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	80.06%	86.00%

Plants that contains it

• Huperzia lucidula
• Huperzia serrata
• Lycopodiella cernua
• Lycopodium deuterodensum

Cross-Links

• PubChem: 5462443
• LOTUS: LTS0112809
• wikiData: Q5975178