(10-Butan-2-yl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),15,18-trien-6-yl)methylidyneoxidanium
| Internal ID | 379c2b37-bb24-4ebb-be5b-5d29f9e702fb |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (10-butan-2-yl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),15,18-trien-6-yl)methylidyneoxidanium |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H25N3O4/c1-3-13(2)17-19(25)21-10-8-14-4-6-15(7-5-14)27-16-9-11-23(12-24)18(16)20(26)22-17/h4-7,13,16-18H,3,8-11H2,1-2H3,(H-,21,22,25,26)/p+1 |
| InChI Key | GACFEVHXTFYRKG-UHFFFAOYSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26N3O4+ |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.19233132 g/mol |
| Topological Polar Surface Area (TPSA) | 71.70 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (10-Butan-2-yl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),15,18-trien-6-yl)methylidyneoxidanium](https://plantaedb.com/storage/docs/compounds/2023/11/ad3a2de0-8717-11ee-9fcd-6f3db69cd56a.jpg "2D Structure of (10-Butan-2-yl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),15,18-trien-6-yl)methylidyneoxidanium")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.70% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.34% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.45% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.81% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.67% | 94.66% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.99% | 93.40% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.39% | 90.08% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 88.39% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.52% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.66% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.39% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.32% | 97.79% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.79% | 90.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.34% | 88.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.33% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.08% | 97.25% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.03% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.78% | 95.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 83.68% | 96.61% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 83.67% | 92.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.62% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.88% | 100.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.62% | 93.65% |
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.
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| There are no matching plants. |
| PubChem | 163187633 |
| LOTUS | LTS0080040 |
| wikiData | Q105005300 |