(1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
| Internal ID | d6208cf8-0756-42a9-9f18-61cc232d2bcd |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Cytisine and derivatives |
| IUPAC Name | (1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| SMILES (Canonical) | CN1CC2CC(C1)C3=CC=CC(=O)N3C2 |
| SMILES (Isomeric) | CN1C[C@@H]2C[C@@H](C1)C3=CC=CC(=O)N3C2 |
| InChI | InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10-/m0/s1 |
| InChI Key | CULUKMPMGVXCEI-UWVGGRQHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.27 g/mol |
| Exact Mass | 204.126263138 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 0.70 |
| Caulophylline |
| AC1L9DPN |
| CTK8E8429 |
| SureCN14206891 |
| SCHEMBL14206891 |
| AKOS030254300 |
![2D Structure of (1S,9S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s9s-11-methyl-711-diazatricyclo731027trideca-24-dien-6-one.jpg "2D Structure of (1S,9S)-11-methyl-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 | 95.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.68% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.90% | 95.56% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 87.23% | 96.25% |
| CHEMBL1907588 | P02708 | Acetylcholine receptor; alpha1/beta1/delta/gamma | 86.65% | 98.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.41% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.77% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.79% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.38% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.32% | 93.99% |
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.
| Ulex europaeus |
| PubChem | 442947 |
| LOTUS | LTS0082613 |
| wikiData | Q105103264 |