16-Butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone
| Internal ID | f2acc5c1-ea1b-4e25-88d9-9ada821f35ac |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H51N5O9/c1-8-18(4)24-29(42)34(7)25(17(2)3)30(43)33(6)19(5)26(39)31-13-12-23(38)44-22(15-20(37)16-36)28(41)35-14-10-9-11-21(35)27(40)32-24/h17-22,24-25,36-37H,8-16H2,1-7H3,(H,31,39)(H,32,40) |
| InChI Key | WSFGUSJVLMZWTL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H51N5O9 |
| Molecular Weight | 625.80 g/mol |
| Exact Mass | 625.36867822 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 16-Butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone](https://plantaedb.com/storage/docs/compounds/2023/11/cec7ac50-86fb-11ee-868a-098d6d127ba8.jpg "2D Structure of 16-Butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-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 | 99.31% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.01% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.31% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.97% | 90.08% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 94.35% | 96.31% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.41% | 94.66% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.25% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.99% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.72% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.79% | 90.71% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 87.78% | 97.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.61% | 97.05% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.48% | 92.97% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 87.29% | 92.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.24% | 94.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.35% | 93.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.98% | 93.04% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.85% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.28% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.46% | 93.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.00% | 95.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.83% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.82% | 95.56% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.25% | 95.51% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.18% | 94.75% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.92% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.40% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.40% | 100.00% |
| CHEMBL3691 | Q13822 | Autotaxin | 82.27% | 96.39% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.07% | 97.47% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.49% | 95.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.32% | 90.24% |
| CHEMBL1949 | P62937 | Cyclophilin A | 81.28% | 98.57% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.03% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.64% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.61% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.56% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.55% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.52% | 98.03% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.33% | 95.83% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 85193251 |
| LOTUS | LTS0217277 |
| wikiData | Q104200582 |