N-[3-ethylidene-6-[(4-hydroxyphenyl)methyl]-16-methyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-2,4,6-trimethylnonanamide
| Internal ID | 6860ce30-70ae-4b46-a9bf-fae47ef18175 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[3-ethylidene-6-[(4-hydroxyphenyl)methyl]-16-methyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-2,4,6-trimethylnonanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H63N5O8/c1-11-13-24(7)19-25(8)20-26(9)35(47)45-34-27(10)53-40(52)30(12-2)41-36(48)32(21-28-14-16-29(46)17-15-28)43-38(50)33(23(5)6)44-37(49)31(18-22(3)4)42-39(34)51/h12,14-17,22-27,31-34,46H,11,13,18-21H2,1-10H3,(H,41,48)(H,42,51)(H,43,50)(H,44,49)(H,45,47) |
| InChI Key | JDEKCDUJAJBUDG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H63N5O8 |
| Molecular Weight | 742.00 g/mol |
| Exact Mass | 741.46766398 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
![2D Structure of N-[3-ethylidene-6-[(4-hydroxyphenyl)methyl]-16-methyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-2,4,6-trimethylnonanamide](https://plantaedb.com/storage/docs/compounds/2023/11/e7b83500-86a3-11ee-8920-ad26086048cb.jpg "2D Structure of N-[3-ethylidene-6-[(4-hydroxyphenyl)methyl]-16-methyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-2,4,6-trimethylnonanamide")
| 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 | 99.42% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.10% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.95% | 83.82% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 96.33% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.11% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.05% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.04% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.99% | 97.25% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.62% | 98.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.60% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.42% | 95.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 90.95% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.40% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.96% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.97% | 96.47% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.70% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.82% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.34% | 97.14% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.26% | 83.10% |
| CHEMBL1949 | P62937 | Cyclophilin A | 85.50% | 98.57% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.09% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.01% | 96.90% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.71% | 89.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.94% | 89.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.91% | 92.88% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.75% | 97.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.55% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.03% | 98.59% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.00% | 95.50% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.21% | 99.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.19% | 94.73% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.55% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.49% | 98.75% |
| CHEMBL268 | P43235 | Cathepsin K | 81.37% | 96.85% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.10% | 97.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.80% | 92.29% |
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 | 75291420 |
| LOTUS | LTS0153757 |
| wikiData | Q104169400 |