N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)acetamide
| Internal ID | 1d5ca6a1-76e9-4bc8-80e5-103d1a2ce659 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Peptoid-peptide hybrids |
| IUPAC Name | N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H41N5O6/c1-20(2)28(35-27(38)19-36(3)4)32(41)37-16-14-26-29(37)31(40)34-24(17-21-9-7-6-8-10-21)30(39)33-15-13-22-18-23(43-26)11-12-25(22)42-5/h6-13,15,18,20,24,26,28-29H,14,16-17,19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/b15-13- |
| InChI Key | WQTMHVRPBKCOPJ-SQFISAMPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H41N5O6 |
| Molecular Weight | 591.70 g/mol |
| Exact Mass | 591.30568404 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/aee18500-8643-11ee-9614-8b11925a7a26.jpg "2D Structure of N-[1-[(13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)acetamide")
| 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 | 99.48% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.11% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.72% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.24% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.80% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.58% | 98.75% |
| CHEMBL204 | P00734 | Thrombin | 91.53% | 96.01% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.98% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.49% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.39% | 95.89% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.37% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.25% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.24% | 93.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.04% | 90.08% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 86.02% | 90.65% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.11% | 97.64% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.76% | 94.66% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.69% | 96.47% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.66% | 93.67% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.55% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.09% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.55% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.39% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.82% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 81.08% | 97.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.74% | 98.33% |
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.
| Ziziphus nummularia |
| PubChem | 101427782 |
| LOTUS | LTS0127093 |
| wikiData | Q105310979 |