10-Butan-2-yl-6-[2-(dimethylamino)-3-phenylpropanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene-8,11-dione
| Internal ID | 4651f258-cfe1-4d38-900a-70c55734edd1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 10-butan-2-yl-6-[2-(dimethylamino)-3-phenylpropanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene-8,11-dione |
| SMILES (Canonical) | CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC4=CC=CC=C4)N(C)C |
| SMILES (Isomeric) | CCC(C)C1C(=O)NC=CC2=CC=C(C=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC4=CC=CC=C4)N(C)C |
| InChI | InChI=1S/C30H38N4O4/c1-5-20(2)26-28(35)31-17-15-21-11-13-23(14-12-21)38-25-16-18-34(27(25)29(36)32-26)30(37)24(33(3)4)19-22-9-7-6-8-10-22/h6-15,17,20,24-27H,5,16,18-19H2,1-4H3,(H,31,35)(H,32,36) |
| InChI Key | NHZHWPDWUVLKIB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H38N4O4 |
| Molecular Weight | 518.60 g/mol |
| Exact Mass | 518.28930571 g/mol |
| Topological Polar Surface Area (TPSA) | 91.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 10-Butan-2-yl-6-[2-(dimethylamino)-3-phenylpropanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene-8,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/bb9af890-8635-11ee-9a05-dbdc596a6425.jpg "2D Structure of 10-Butan-2-yl-6-[2-(dimethylamino)-3-phenylpropanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraene-8,11-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 | 99.61% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.39% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.06% | 96.61% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.63% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.79% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.17% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.08% | 93.00% |
| CHEMBL204 | P00734 | Thrombin | 89.08% | 96.01% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.31% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.29% | 90.08% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.73% | 98.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.86% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.98% | 95.89% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 83.69% | 95.48% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.63% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.56% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.58% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.50% | 93.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.88% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.47% | 99.23% |
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.
| Paliurus ramosissimus |
| PubChem | 162943384 |
| LOTUS | LTS0220490 |
| wikiData | Q105179686 |