(1S,9R)-11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
| Internal ID | 515e2926-57e5-4efd-ad99-8764ab62a54b |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Cytisine and derivatives |
| IUPAC Name | (1S,9R)-11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| SMILES (Canonical) | CC(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2 |
| SMILES (Isomeric) | CC(=O)N1C[C@H]2C[C@@H](C1)C3=CC=CC(=O)N3C2 |
| InChI | InChI=1S/C13H16N2O2/c1-9(16)14-6-10-5-11(8-14)12-3-2-4-13(17)15(12)7-10/h2-4,10-11H,5-8H2,1H3/t10-,11+/m1/s1 |
| InChI Key | WCRIKJOQMRFVPX-MNOVXSKESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.28 g/mol |
| Exact Mass | 232.121177757 g/mol |
| Topological Polar Surface Area (TPSA) | 40.60 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (1S,9R)-11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s9r-11-acetyl-711-diazatricyclo731027trideca-24-dien-6-one.jpg "2D Structure of (1S,9R)-11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.72% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.14% | 95.56% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 89.41% | 98.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.13% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.91% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.52% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.66% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.11% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 80.79% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.07% | 94.45% |
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.
| Dermatophyllum secundiflorum |
| Genista acanthoclada |
| Genista albida |
| Petteria ramentacea |
| Sophora tomentosa |
| Spartium junceum |
| Ulex europaeus |
| PubChem | 7067492 |
| LOTUS | LTS0001387 |
| wikiData | Q105302038 |