(7R,8R,13R)-8-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18,20-tetraene-9,22-dione
| Internal ID | 3fb2aa7b-09b4-4e92-9845-58705986243a |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (7R,8R,13R)-8-hydroxy-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)C(C(NC1)C3=CC=CC=C3)O)C4=CC=CC=C4C=CC2=O |
| SMILES (Isomeric) | C1CCN2[C@H](CCNC(=O)[C@@H]([C@H](NC1)C3=CC=CC=C3)O)C4=CC=CC=C4C=CC2=O |
| InChI | InChI=1S/C25H29N3O3/c29-22-13-12-18-8-4-5-11-20(18)21-14-16-27-25(31)24(30)23(19-9-2-1-3-10-19)26-15-6-7-17-28(21)22/h1-5,8-13,21,23-24,26,30H,6-7,14-17H2,(H,27,31)/t21-,23-,24-/m1/s1 |
| InChI Key | SIQVIAKJJUTAEQ-GMKZXUHWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H29N3O3 |
| Molecular Weight | 419.50 g/mol |
| Exact Mass | 419.22089180 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (7R,8R,13R)-8-hydroxy-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/d274e970-84b3-11ee-8c07-d1a80c70fdeb.jpg "2D Structure of (7R,8R,13R)-8-hydroxy-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 | 98.55% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.11% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.36% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.42% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.83% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.23% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.15% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.91% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.67% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.40% | 99.23% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.09% | 95.88% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.41% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.11% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.66% | 91.11% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.11% | 92.97% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.23% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.71% | 86.33% |
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 opposita |
| PubChem | 163046377 |
| LOTUS | LTS0156528 |
| wikiData | Q105253970 |