Isocyclocelabenzine
| Internal ID | c51cbc72-2edb-4c29-8187-2f54bb3d6c72 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 8-phenyl-1,5,9-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-6,19-dione |
| SMILES (Canonical) | C1CNC(=O)CC(NCCC2CN(C1)C(=O)C3=CC=CC=C23)C4=CC=CC=C4 |
| SMILES (Isomeric) | C1CNC(=O)CC(NCCC2CN(C1)C(=O)C3=CC=CC=C23)C4=CC=CC=C4 |
| InChI | InChI=1S/C23H27N3O2/c27-22-15-21(17-7-2-1-3-8-17)24-13-11-18-16-26(14-6-12-25-22)23(28)20-10-5-4-9-19(18)20/h1-5,7-10,18,21,24H,6,11-16H2,(H,25,27) |
| InChI Key | YLOOKVSZLSAFTR-UHFFFAOYSA-N |
| Popularity | 1 reference 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 |
| 70503-72-9 |
| ISOCYCLOCELABENZINE |
| DTXSID50320927 |
| NSC-366466 |
| 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 | 99.50% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.32% | 97.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 94.30% | 95.51% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.16% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.39% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.96% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.91% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.82% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.33% | 91.11% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.94% | 96.39% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.82% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.80% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.71% | 93.99% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.34% | 91.49% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.13% | 92.97% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.70% | 96.67% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.49% | 90.24% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.50% | 95.83% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.65% | 97.64% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.30% | 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.
| Gymnosporia mossambicensis |
| PubChem | 339531 |
| LOTUS | LTS0151445 |
| wikiData | Q82078522 |