10,13-Dibenzyl-3,9,12,15-tetrazatricyclo[14.4.0.03,7]icosa-1(20),16,18-triene-2,8,11,14-tetrone
| Internal ID | b3935e46-e9fd-41a6-8a8c-4e9deb4cb249 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 10,13-dibenzyl-3,9,12,15-tetrazatricyclo[14.4.0.03,7]icosa-1(20),16,18-triene-2,8,11,14-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H30N4O4/c35-27-24(18-20-10-3-1-4-11-20)32-28(36)25(19-21-12-5-2-6-13-21)33-29(37)26-16-9-17-34(26)30(38)22-14-7-8-15-23(22)31-27/h1-8,10-15,24-26H,9,16-19H2,(H,31,35)(H,32,36)(H,33,37) |
| InChI Key | CLGTZBGSAHDAKP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H30N4O4 |
| Molecular Weight | 510.60 g/mol |
| Exact Mass | 510.22670545 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 10,13-Dibenzyl-3,9,12,15-tetrazatricyclo[14.4.0.03,7]icosa-1(20),16,18-triene-2,8,11,14-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/1013-dibenzyl-391215-tetrazatricyclo1440037icosa-1201618-triene-281114-tetrone.jpg "2D Structure of 10,13-Dibenzyl-3,9,12,15-tetrazatricyclo[14.4.0.03,7]icosa-1(20),16,18-triene-2,8,11,14-tetrone")
| 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 | 99.29% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 96.13% | 97.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.49% | 97.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.26% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.63% | 93.03% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 92.22% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.62% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.28% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.68% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.94% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 88.65% | 96.25% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.15% | 92.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.51% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.87% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.05% | 86.33% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 82.61% | 98.89% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 82.41% | 95.48% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.22% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.94% | 90.08% |
| CHEMBL4531 | P17931 | Galectin-3 | 81.91% | 96.90% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 81.40% | 87.50% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.77% | 95.51% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.32% | 95.93% |
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.
| There are no matching plants. |
| PubChem | 162815450 |
| LOTUS | LTS0215469 |
| wikiData | Q103817840 |