(1S,2R,9S,12R)-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
| Internal ID | 16e84b03-e524-4dae-8315-3072cd23f16c |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines |
| IUPAC Name | (1S,2R,9S,12R)-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one |
| SMILES (Canonical) | C=CCC1C2CC(CN1)CN3C2CC(=O)C=C3 |
| SMILES (Isomeric) | C=CC[C@@H]1[C@@H]2C[C@@H](CN1)CN3[C@@H]2CC(=O)C=C3 |
| InChI | InChI=1S/C14H20N2O/c1-2-3-13-12-6-10(8-15-13)9-16-5-4-11(17)7-14(12)16/h2,4-5,10,12-15H,1,3,6-9H2/t10-,12-,13+,14+/m0/s1 |
| InChI Key | QJVOZXGJOGJKPT-SCUASFONSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20N2O |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.157563266 g/mol |
| Topological Polar Surface Area (TPSA) | 32.30 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (1S,2R,9S,12R)-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r9s12r-12-prop-2-enyl-711-diazatricyclo731027tridec-5-en-4-one.jpg "2D Structure of (1S,2R,9S,12R)-12-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-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 |
|---|---|---|---|---|
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 93.93% | 94.55% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.73% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.41% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.25% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.73% | 97.05% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.76% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.48% | 96.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.39% | 95.51% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.29% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.21% | 91.11% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.95% | 95.88% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.59% | 97.21% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.21% | 91.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.40% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.03% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.59% | 89.34% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 84.21% | 97.63% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 82.84% | 96.06% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.27% | 94.75% |
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.
| Lupinus albus subsp. albus |
| Lupinus polyphyllus |
| PubChem | 162862979 |
| LOTUS | LTS0017099 |
| wikiData | Q105222896 |