2-(methylamino)-N-[(10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
| Internal ID | 330565aa-d0f1-4ff9-ad4d-c96d44ce23cc |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 2-(methylamino)-N-[(10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide |
| SMILES (Canonical) | CC(C)CC1C(=O)NC=CC2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)NC)C(C)C |
| SMILES (Isomeric) | CC(C)CC1C(=O)N/C=C/C2=CC=C(C=C2)OC(C(C(=O)N1)NC(=O)C(CC3=CC=CC=C3)NC)C(C)C |
| InChI | InChI=1S/C30H40N4O4/c1-19(2)17-25-28(35)32-16-15-21-11-13-23(14-12-21)38-27(20(3)4)26(30(37)33-25)34-29(36)24(31-5)18-22-9-7-6-8-10-22/h6-16,19-20,24-27,31H,17-18H2,1-5H3,(H,32,35)(H,33,37)(H,34,36)/b16-15+ |
| InChI Key | RZPGHGRAYXXUEA-FOCLMDBBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40N4O4 |
| Molecular Weight | 520.70 g/mol |
| Exact Mass | 520.30495577 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 2-(methylamino)-N-[(10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/9c5b92c0-85eb-11ee-a523-a74bcd30c1f0.jpg "2D Structure of 2-(methylamino)-N-[(10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-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 | 99.43% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.79% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.04% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.55% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.20% | 99.17% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.48% | 97.64% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.00% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.23% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.21% | 97.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.12% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.74% | 85.14% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.44% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.21% | 99.23% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.93% | 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 jujuba |
| PubChem | 14729076 |
| LOTUS | LTS0203775 |
| wikiData | Q105248511 |