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-dimethylheptanamide
| Internal ID | 65574bbe-a4d7-4a4f-b68f-2970a690e268 |
| 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-dimethylheptanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H57N5O8/c1-10-12-22(7)18-23(8)32(44)42-31-24(9)50-37(49)27(11-2)38-33(45)29(19-25-13-15-26(43)16-14-25)40-35(47)30(21(5)6)41-34(46)28(17-20(3)4)39-36(31)48/h11,13-16,20-24,28-31,43H,10,12,17-19H2,1-9H3,(H,38,45)(H,39,48)(H,40,47)(H,41,46)(H,42,44) |
| InChI Key | CUJBKWCXRLZJMY-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C37H57N5O8 |
| Molecular Weight | 699.90 g/mol |
| Exact Mass | 699.42071379 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 5.90 |
| 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-dimethylheptanamide](https://plantaedb.com/storage/docs/compounds/2023/11/79834490-8588-11ee-86a8-d37f178715a2.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-dimethylheptanamide")
| 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% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.10% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.01% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 96.33% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.77% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.05% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.04% | 93.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.03% | 96.61% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.66% | 98.35% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.57% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.42% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.48% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.40% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.67% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.96% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.54% | 96.47% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.94% | 83.10% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.33% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.09% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.76% | 90.17% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.71% | 89.67% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.58% | 96.90% |
| CHEMBL1949 | P62937 | Cyclophilin A | 84.57% | 98.57% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.09% | 92.88% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.94% | 89.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.75% | 97.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.55% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.00% | 95.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.69% | 98.59% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.62% | 94.73% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.60% | 99.35% |
| CHEMBL268 | P43235 | Cathepsin K | 82.49% | 96.85% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.55% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.52% | 98.05% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.29% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.10% | 97.09% |
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 | 75291419 |
| LOTUS | LTS0216432 |
| wikiData | Q103818053 |