deamino-Leu-DL-xiThr(1)-DL-Ala-DL-Leu-DL-Leu-DL-Leu-DL-Leu-DL-Ala-(1)
| Internal ID | 75eb84da-fb53-4107-901c-6633de4deb81 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 4-methyl-N-[3,18,22-trimethyl-6,9,12,15-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]pentanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H71N7O9/c1-20(2)14-15-32(48)47-33-27(13)56-40(55)26(12)42-35(50)28(16-21(3)4)44-37(52)30(18-23(7)8)46-38(53)31(19-24(9)10)45-36(51)29(17-22(5)6)43-34(49)25(11)41-39(33)54/h20-31,33H,14-19H2,1-13H3,(H,41,54)(H,42,50)(H,43,49)(H,44,52)(H,45,51)(H,46,53)(H,47,48) |
| InChI Key | NAZXQCRHPZZVPJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H71N7O9 |
| Molecular Weight | 794.00 g/mol |
| Exact Mass | 793.53132687 g/mol |
| Topological Polar Surface Area (TPSA) | 230.00 Ų |
| XlogP | 5.10 |
| 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 | 93.97% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.46% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.97% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.53% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.66% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.66% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.63% | 96.09% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.60% | 98.05% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.30% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.15% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.53% | 85.14% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.97% | 96.90% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.50% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.19% | 89.63% |
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 | 163062229 |
| LOTUS | LTS0069072 |
| wikiData | Q104172243 |