(1R,9S,13Z)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
| Internal ID | caa421d1-8a41-44b1-bb07-2705b57e748b |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives |
| IUPAC Name | (1R,9S,13Z)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one |
| SMILES (Canonical) | CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3 |
| SMILES (Isomeric) | C/C=C\1/[C@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3 |
| InChI | InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3-/t10-,15-/m1/s1 |
| InChI Key | ZRJBHWIHUMBLCN-HNWKQCISSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18N2O |
| Molecular Weight | 242.32 g/mol |
| Exact Mass | 242.141913202 g/mol |
| Topological Polar Surface Area (TPSA) | 55.10 Ų |
| XlogP | 0.00 |
| Huperzine A |
| 102518-79-6 |
![2D Structure of (1R,9S,13Z)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r9s13z-1-amino-13-ethylidene-11-methyl-6-azatricyclo731027trideca-27310-trien-5-one.jpg "2D Structure of (1R,9S,13Z)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase |
33 nM 0.54 nM |
IC50 IC50 |
via Super-PRED
via Super-PRED |
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.66% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.78% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.46% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.68% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.50% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.91% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.16% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.64% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.00% | 94.75% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.19% | 86.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.81% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.15% | 93.00% |
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 selago |
| Huperzia serrata |
| Lycopodiella inundata |
| PubChem | 71308731 |
| LOTUS | LTS0243216 |
| wikiData | Q104392734 |