(7S,12R)-7-phenyl-1,6,10-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-9,19-dione
| Internal ID | fa6cb531-14b8-4ab4-b951-072b164c38ec |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (7S,12R)-7-phenyl-1,6,10-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-9,19-dione |
| SMILES (Canonical) | C1CCN2CC(CNC(=O)CC(NC1)C3=CC=CC=C3)C4=CC=CC=C4C2=O |
| SMILES (Isomeric) | C1CCN2C[C@@H](CNC(=O)C[C@H](NC1)C3=CC=CC=C3)C4=CC=CC=C4C2=O |
| InChI | InChI=1S/C23H27N3O2/c27-22-14-21(17-8-2-1-3-9-17)24-12-6-7-13-26-16-18(15-25-22)19-10-4-5-11-20(19)23(26)28/h1-5,8-11,18,21,24H,6-7,12-16H2,(H,25,27)/t18-,21+/m1/s1 |
| InChI Key | XRGRYPQJVHKGHR-NQIIRXRSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H27N3O2 |
| Molecular Weight | 377.50 g/mol |
| Exact Mass | 377.21032711 g/mol |
| Topological Polar Surface Area (TPSA) | 61.40 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (7S,12R)-7-phenyl-1,6,10-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-9,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7s12r-7-phenyl-1610-triazatricyclo107101318icosa-131517-triene-919-dione.jpg "2D Structure of (7S,12R)-7-phenyl-1,6,10-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-9,19-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 | 99.47% | 98.95% |
| CHEMBL228 | P31645 | Serotonin transporter | 95.64% | 95.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.28% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.21% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.06% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.76% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.88% | 86.33% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.74% | 92.97% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.65% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.61% | 95.56% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 85.46% | 96.06% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.93% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.85% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.95% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.21% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.14% | 82.69% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 81.13% | 92.12% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 80.85% | 98.89% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.48% | 96.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.46% | 90.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.29% | 93.99% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.24% | 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.
| Gymnosporia mossambicensis |
| PubChem | 10981721 |
| LOTUS | LTS0213694 |
| wikiData | Q105340458 |