12,18-Di(butan-2-yl)-24-hydroxy-3,4,10,13,21,25-hexamethyl-26-pent-2-en-2-yl-6,15-di(propan-2-yl)-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone
| Internal ID | 509e2873-60b2-458b-9b9f-1e8beb82cff0 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 12,18-di(butan-2-yl)-24-hydroxy-3,4,10,13,21,25-hexamethyl-26-pent-2-en-2-yl-6,15-di(propan-2-yl)-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H75N5O10/c1-17-20-28(10)37-30(12)32(50)22-21-29(11)43(56)59-38(27(9)19-3)39(52)46-35(25(6)7)41(54)49(16)36(26(8)18-2)42(55)47(14)23-33(51)45-34(24(4)5)40(53)48(15)31(13)44(57)58-37/h20-21,24-27,30-32,34-38,50H,17-19,22-23H2,1-16H3,(H,45,51)(H,46,52) |
| InChI Key | LRWWIPZJXHBJSP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H75N5O10 |
| Molecular Weight | 834.10 g/mol |
| Exact Mass | 833.55139361 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
| 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 | 97.94% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.66% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.68% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.63% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.13% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.23% | 90.08% |
| CHEMBL1949 | P62937 | Cyclophilin A | 93.19% | 98.57% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.77% | 88.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.78% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.24% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.95% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.04% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.41% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.78% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.39% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.49% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.48% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.35% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.17% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.16% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.00% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.24% | 90.71% |
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 | 73073389 |
| LOTUS | LTS0023872 |
| wikiData | Q104171263 |