6,16-Di(butan-2-yl)-7,12,17-trimethyl-13-pent-4-ynyl-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 | 0972515d-8c99-4454-8395-f59e030da49e |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 6,16-di(butan-2-yl)-7,12,17-trimethyl-13-pent-4-ynyl-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/C38H62N4O8/c1-13-16-17-20-28-26(10)33(43)39-29(22(4)5)35(45)41(12)31(25(9)15-3)38(48)50-32(23(6)7)36(46)42-21-18-19-27(42)34(44)40(11)30(24(8)14-2)37(47)49-28/h1,22-32H,14-21H2,2-12H3,(H,39,43) |
| InChI Key | SQJXSQNFTGGEAI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H62N4O8 |
| Molecular Weight | 702.90 g/mol |
| Exact Mass | 702.45676495 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 6,16-Di(butan-2-yl)-7,12,17-trimethyl-13-pent-4-ynyl-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/2023/11/0de91f50-8622-11ee-ba4b-d1865d6be996.jpg "2D Structure of 6,16-Di(butan-2-yl)-7,12,17-trimethyl-13-pent-4-ynyl-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 | 99.34% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.57% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 98.22% | 96.31% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.00% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.58% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.33% | 90.08% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 95.96% | 94.66% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 95.16% | 91.76% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.93% | 99.18% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.58% | 82.38% |
| CHEMBL228 | P31645 | Serotonin transporter | 92.67% | 95.51% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 92.63% | 92.12% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.03% | 94.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.00% | 97.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.31% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.22% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.17% | 93.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.12% | 90.71% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 88.86% | 95.92% |
| CHEMBL1949 | P62937 | Cyclophilin A | 88.69% | 98.57% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.35% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.42% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.18% | 98.59% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 86.89% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.80% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.30% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.11% | 93.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.96% | 96.38% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 84.92% | 94.50% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.81% | 95.62% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 84.72% | 95.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.03% | 93.03% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 83.90% | 94.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.66% | 95.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.03% | 95.34% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 82.49% | 95.36% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.98% | 98.33% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.63% | 88.56% |
| CHEMBL3691 | Q13822 | Autotaxin | 80.70% | 96.39% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.51% | 97.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.43% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.37% | 100.00% |
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 | 73800364 |
| LOTUS | LTS0128251 |
| wikiData | Q105258027 |