(4aR,12R)-2,3,4,4abeta,5,6-Hexahydro-12-methyl-1H-5beta,10bbeta-propano-1,7-phenanthroline
| Internal ID | 97100e30-54ae-4854-9fd0-edaa3371e047 |
| Taxonomy | Organoheterocyclic compounds > Phenanthrolines |
| IUPAC Name | 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) | CC1CC2CC3=C(C=CC=N3)C4(C1)C2CCCN4 |
| 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 |
| InChI Key | JJPMUZRSJKMFRK-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| 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 |
| JJPMUZRSJKMFRK-UHFFFAOYSA-N |
| 1H-5,10b-Propano-1,7-phenanthroline, lycodine deriv. |
| [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-(4a.alpha.,5.alpha.,10b.alpha.,12R*)]- |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| 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% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Huperzia lucidula |
| Huperzia serrata |
| PubChem | 603959 |
| LOTUS | LTS0203060 |
| wikiData | Q105129814 |