6-Benzyl-3,19-di(butan-2-yl)-12,12-dimethyl-13-pent-4-ynyl-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
| Internal ID | c70a72af-14cb-4668-9180-86a056dffc51 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 6-benzyl-3,19-di(butan-2-yl)-12,12-dimethyl-13-pent-4-ynyl-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H63N5O9/c1-10-13-15-22-32-43(8,9)42(55)47-34(26(4)5)39(52)45-30(24-29-19-16-14-17-20-29)41(54)57-36(28(7)12-3)40(53)48-23-18-21-31(48)37(50)46-35(27(6)11-2)38(51)44-25-33(49)56-32/h1,14,16-17,19-20,26-28,30-32,34-36H,11-13,15,18,21-25H2,2-9H3,(H,44,51)(H,45,52)(H,46,50)(H,47,55) |
| InChI Key | JUWZHOPGNUQZRO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H63N5O9 |
| Molecular Weight | 794.00 g/mol |
| Exact Mass | 793.46257860 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 6-Benzyl-3,19-di(butan-2-yl)-12,12-dimethyl-13-pent-4-ynyl-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogly-unk-dl-val-dl-phe-dl-oxiile-dl-pro-dl-xiile.jpg "2D Structure of 6-Benzyl-3,19-di(butan-2-yl)-12,12-dimethyl-13-pent-4-ynyl-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone")
| 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 | 99.56% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.28% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.08% | 96.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 97.07% | 82.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.39% | 85.14% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.14% | 96.61% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 94.79% | 96.31% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.17% | 97.05% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.11% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.94% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.04% | 91.11% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.47% | 99.18% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.53% | 92.97% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.42% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.03% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.97% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.91% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.80% | 97.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.65% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.36% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.31% | 97.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.36% | 92.67% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.22% | 88.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.86% | 91.71% |
| CHEMBL4071 | P08311 | Cathepsin G | 83.80% | 94.64% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 83.62% | 92.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.33% | 99.23% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 80.31% | 91.76% |
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 | 76156915 |
| LOTUS | LTS0041827 |
| wikiData | Q104169886 |