CID 3631
| Internal ID | b12ec9fd-7955-41b7-972f-2d2768d5da7c |
| Taxonomy | Organoheterocyclic compounds > Phenanthrolines |
| IUPAC Name | 16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one |
| SMILES (Canonical) | CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4 |
| SMILES (Isomeric) | CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4 |
| InChI | InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19) |
| InChI Key | YYWGABLTRMRUIT-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H20N2O |
| Molecular Weight | 256.34 g/mol |
| Exact Mass | 256.157563266 g/mol |
| Topological Polar Surface Area (TPSA) | 41.10 Ų |
| XlogP | 0.60 |
| Q27094289 |
| 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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.68% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.77% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.91% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.42% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.29% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.12% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.53% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.21% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.19% | 98.95% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 90.76% | 86.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.04% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.69% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.69% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.42% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.99% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.85% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.34% | 90.08% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.93% | 97.05% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.62% | 96.43% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.25% | 95.51% |
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 serrata |
| PubChem | 3631 |
| LOTUS | LTS0086801 |
| wikiData | Q27094289 |