10-[(4-Methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
| Internal ID | f35c6e52-0a8a-42ac-b90d-37ae837d4351 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 10-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H42N2O8/c1-21(2)19-28-34(40)43-27(22(3)31-32(44-31)24-9-6-5-7-10-24)11-8-12-29(37)36-26(33(39)35-18-17-30(38)42-28)20-23-13-15-25(41-4)16-14-23/h5-10,12-16,21-22,26-28,31-32H,11,17-20H2,1-4H3,(H,35,39)(H,36,37) |
| InChI Key | GPUHMLPBKTYERL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H42N2O8 |
| Molecular Weight | 606.70 g/mol |
| Exact Mass | 606.29411630 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 10-[(4-Methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-oleu-unk-dl-tyrme-bala.jpg "2D Structure of 10-[(4-Methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[1-(3-phenyloxiran-2-yl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.91% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.64% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.31% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.46% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.38% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.41% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.34% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.31% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.20% | 95.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.14% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.93% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.89% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.14% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.01% | 95.89% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.78% | 96.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 86.32% | 92.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.43% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.34% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.56% | 86.33% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 84.27% | 92.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.15% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.96% | 94.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.87% | 92.88% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.88% | 96.61% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.37% | 97.64% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.05% | 94.66% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.00% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.26% | 97.14% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.08% | 89.67% |
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 | 72808952 |
| LOTUS | LTS0180383 |
| wikiData | Q105015193 |