2-(dimethylamino)-N-[11-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-phenylpropanamide
| Internal ID | 29ea83bf-7f89-44ca-b2b4-47beb1cc60e2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-(dimethylamino)-N-[11-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-phenylpropanamide |
| SMILES (Canonical) | CC(C)CC1C(=O)NCC(C2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)N(C)C)C(C)C)OC |
| SMILES (Isomeric) | CC(C)CC1C(=O)NCC(C2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)N(C)C)C(C)C)OC |
| InChI | InChI=1S/C32H46N4O5/c1-20(2)17-25-30(37)33-19-27(40-7)23-13-15-24(16-14-23)41-29(21(3)4)28(32(39)34-25)35-31(38)26(36(5)6)18-22-11-9-8-10-12-22/h8-16,20-21,25-29H,17-19H2,1-7H3,(H,33,37)(H,34,39)(H,35,38) |
| InChI Key | BINQKWRSNMBDHS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H46N4O5 |
| Molecular Weight | 566.70 g/mol |
| Exact Mass | 566.34682058 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 2-(dimethylamino)-N-[11-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-phenylpropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/55e611a0-83b8-11ee-aa4e-5d3ecf4b52cc.jpg "2D Structure of 2-(dimethylamino)-N-[11-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-phenylpropanamide")
| 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 | 99.33% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.58% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.97% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.96% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.85% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.40% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.03% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.48% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.04% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.46% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.84% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.60% | 92.62% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.58% | 89.67% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.91% | 97.64% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.57% | 90.20% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.43% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.77% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.39% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.74% | 95.89% |
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 jujuba |
| PubChem | 75072105 |
| LOTUS | LTS0248351 |
| wikiData | Q104936640 |