(2S,3R,10S,12R)-2-prop-2-enyl-1,8-diazatetracyclo[8.3.1.03,8.03,12]tetradec-4-en-7-one
| Internal ID | baa5bc81-8028-44a7-954f-08c9448a03d4 |
| Taxonomy | Organoheterocyclic compounds > Diazepanes > 1,4-diazepanes |
| IUPAC Name | (2S,3R,10S,12R)-2-prop-2-enyl-1,8-diazatetracyclo[8.3.1.03,8.03,12]tetradec-4-en-7-one |
| SMILES (Canonical) | C=CCC1C23C=CCC(=O)N2CC4CC3CN1C4 |
| SMILES (Isomeric) | C=CC[C@H]1[C@]23C=CCC(=O)N2C[C@H]4C[C@@H]3CN1C4 |
| InChI | InChI=1S/C15H20N2O/c1-2-4-13-15-6-3-5-14(18)17(15)9-11-7-12(15)10-16(13)8-11/h2-3,6,11-13H,1,4-5,7-10H2/t11-,12+,13-,15+/m0/s1 |
| InChI Key | DEDKBUWNGGQJMQ-SFDCQRBFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20N2O |
| Molecular Weight | 244.33 g/mol |
| Exact Mass | 244.157563266 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (2S,3R,10S,12R)-2-prop-2-enyl-1,8-diazatetracyclo[8.3.1.03,8.03,12]tetradec-4-en-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s3r10s12r-2-prop-2-enyl-18-diazatetracyclo8310380312tetradec-4-en-7-one.jpg "2D Structure of (2S,3R,10S,12R)-2-prop-2-enyl-1,8-diazatetracyclo[8.3.1.03,8.03,12]tetradec-4-en-7-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.40% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.51% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.53% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.33% | 94.75% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.06% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.79% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.60% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.00% | 90.71% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.94% | 91.76% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.29% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.02% | 94.45% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.90% | 95.83% |
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.
| Sophora franchetiana |
| PubChem | 101648406 |
| LOTUS | LTS0205099 |
| wikiData | Q104977109 |