12,12-Dimethyl-10,15,21-triazapentacyclo[13.7.0.03,11.04,9.017,21]docosa-3(11),4,6,8,13,17-hexaene-16,22-dione
| Internal ID | 86f9afde-0e66-497e-9bba-65cc6fe03251 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 12,12-dimethyl-10,15,21-triazapentacyclo[13.7.0.03,11.04,9.017,21]docosa-3(11),4,6,8,13,17-hexaene-16,22-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H21N3O2/c1-21(2)9-11-24-17(20(26)23-10-5-8-16(23)19(24)25)12-14-13-6-3-4-7-15(13)22-18(14)21/h3-4,6-9,11,17,22H,5,10,12H2,1-2H3 |
| InChI Key | VSXXSJJFEXRTPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H21N3O2 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.16337692 g/mol |
| Topological Polar Surface Area (TPSA) | 56.40 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 12,12-Dimethyl-10,15,21-triazapentacyclo[13.7.0.03,11.04,9.017,21]docosa-3(11),4,6,8,13,17-hexaene-16,22-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3d575f50-8649-11ee-987d-c94d86396f2b.jpg "2D Structure of 12,12-Dimethyl-10,15,21-triazapentacyclo[13.7.0.03,11.04,9.017,21]docosa-3(11),4,6,8,13,17-hexaene-16,22-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.75% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.47% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.23% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.37% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.12% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.28% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.99% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.82% | 98.59% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.61% | 88.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.29% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.87% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.89% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.86% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.97% | 98.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.63% | 96.39% |
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 | 72975306 |
| LOTUS | LTS0195782 |
| wikiData | Q105292591 |