10-[(3-Chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-(4-phenylbut-3-en-2-yl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
| Internal ID | 4f52c5f8-0cfe-4408-bbd7-1efebd170053 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 10-[(3-chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-(4-phenylbut-3-en-2-yl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H41ClN2O7/c1-22(2)19-30-34(41)44-28(23(3)13-14-24-9-6-5-7-10-24)11-8-12-31(38)37-27(33(40)36-18-17-32(39)43-30)21-25-15-16-29(42-4)26(35)20-25/h5-10,12-16,20,22-23,27-28,30H,11,17-19,21H2,1-4H3,(H,36,40)(H,37,38) |
| InChI Key | XFXOMGLTDWTPTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H41ClN2O7 |
| Molecular Weight | 625.10 g/mol |
| Exact Mass | 624.2602293 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 10-[(3-Chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-(4-phenylbut-3-en-2-yl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/bc3234c0-8615-11ee-a6dc-2987719405c4.jpg "2D Structure of 10-[(3-Chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-(4-phenylbut-3-en-2-yl)-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 | 97.49% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.40% | 96.61% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 97.37% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.90% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.48% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.83% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.72% | 96.09% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 95.11% | 89.44% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 94.77% | 89.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.60% | 86.33% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 93.83% | 97.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.82% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.84% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.80% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.63% | 90.20% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.09% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.77% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.27% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.11% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.87% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.18% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.01% | 98.59% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.42% | 92.98% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 84.36% | 99.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.72% | 99.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.76% | 92.88% |
| CHEMBL1949 | P62937 | Cyclophilin A | 80.68% | 98.57% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 80.64% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.15% | 98.75% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.00% | 89.50% |
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 | 72804315 |
| LOTUS | LTS0133003 |
| wikiData | Q105327373 |