6-Benzyl-16-butan-2-yl-7,12,17-trimethyl-13-pent-4-enyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
| Internal ID | 3233e77c-96c0-4860-aa64-00c0d202e3f5 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 6-benzyl-16-butan-2-yl-7,12,17-trimethyl-13-pent-4-enyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H62N4O8/c1-11-13-15-22-32-28(8)36(46)42-33(25(3)4)38(48)43(9)31(24-29-19-16-14-17-20-29)40(50)53-35(26(5)6)39(49)45-23-18-21-30(45)37(47)44(10)34(27(7)12-2)41(51)52-32/h11,14,16-17,19-20,25-28,30-35H,1,12-13,15,18,21-24H2,2-10H3,(H,42,46) |
| InChI Key | LZACOZXZESEOFK-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H62N4O8 |
| Molecular Weight | 739.00 g/mol |
| Exact Mass | 738.45676495 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 6-Benzyl-16-butan-2-yl-7,12,17-trimethyl-13-pent-4-enyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone](https://plantaedb.com/storage/docs/compounds/2023/11/45ee8db0-8708-11ee-a768-85c3115b1124.jpg "2D Structure of 6-Benzyl-16-butan-2-yl-7,12,17-trimethyl-13-pent-4-enyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone")
| 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 | 99.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.29% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.98% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.51% | 90.08% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.20% | 97.05% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.58% | 97.64% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.51% | 82.38% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 92.84% | 91.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.37% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.21% | 93.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.59% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.35% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.65% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.55% | 86.33% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 88.93% | 96.31% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.54% | 93.03% |
| CHEMBL240 | Q12809 | HERG | 87.35% | 89.76% |
| CHEMBL1949 | P62937 | Cyclophilin A | 86.39% | 98.57% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.06% | 94.66% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.44% | 93.56% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.49% | 95.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.42% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.34% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.08% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.46% | 95.89% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.26% | 98.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.80% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.23% | 85.14% |
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 | 22297741 |
| LOTUS | LTS0127222 |
| wikiData | Q104171475 |