(7S,13R)-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione
| Internal ID | c3082b32-fe39-4e40-a9ca-43328f68585e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (7S,13R)-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione |
| SMILES (Canonical) | C1CCN2C(CCNC(=O)CC(NC1)C3=CC=CC=C3)C4=CC=CC=C4C=CC2=O |
| SMILES (Isomeric) | C1CCN2[C@H](CCNC(=O)C[C@H](NC1)C3=CC=CC=C3)C4=CC=CC=C4C=CC2=O |
| InChI | InChI=1S/C25H29N3O2/c29-24-18-22(20-9-2-1-3-10-20)26-15-6-7-17-28-23(14-16-27-24)21-11-5-4-8-19(21)12-13-25(28)30/h1-5,8-13,22-23,26H,6-7,14-18H2,(H,27,29)/t22-,23+/m0/s1 |
| InChI Key | DKCWAFAXQGAJSD-XZOQPEGZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H29N3O2 |
| Molecular Weight | 403.50 g/mol |
| Exact Mass | 403.22597718 g/mol |
| Topological Polar Surface Area (TPSA) | 61.40 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (7S,13R)-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7s13r-7-phenyl-1610-triazatricyclo119001419docosa-14161820-tetraene-922-dione.jpg "2D Structure of (7S,13R)-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione")
| 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 | 98.71% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 96.06% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.33% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.71% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.32% | 97.05% |
| CHEMBL228 | P31645 | Serotonin transporter | 91.83% | 95.51% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.95% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.89% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.89% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.54% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.20% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.45% | 93.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.11% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.05% | 93.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.76% | 97.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.60% | 90.24% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.47% | 90.71% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.88% | 95.88% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.58% | 92.67% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.42% | 93.04% |
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.
| Pleurostylia africana |
| Pleurostylia opposita |
| PubChem | 162902393 |
| LOTUS | LTS0057105 |
| wikiData | Q104983034 |