5-Chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23,29,29-tetramethyl-21-oxa-1,7,8,11,17,18,24,30-octazatetracyclo[24.4.0.03,8.013,18]triacont-16-ene-2,9,12,19,22,25-hexone
| Internal ID | 39ad1949-345a-44f6-96d7-dd2de257e5f2 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 5-chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23,29,29-tetramethyl-21-oxa-1,7,8,11,17,18,24,30-octazatetracyclo[24.4.0.03,8.013,18]triacont-16-ene-2,9,12,19,22,25-hexone |
| SMILES (Canonical) | CC1C(=O)N2C(CC(CN2)Cl)C(=O)N3C(CCC(N3)(C)C)C(=O)NC(C(=O)OCC(=O)N4C(C(C(C=N4)O)O)C(=O)N1)(C)CO |
| SMILES (Isomeric) | CC1C(=O)N2C(CC(CN2)Cl)C(=O)N3C(CCC(N3)(C)C)C(=O)NC(C(=O)OCC(=O)N4C(C(C(C=N4)O)O)C(=O)N1)(C)CO |
| InChI | InChI=1S/C26H39ClN8O10/c1-12-22(42)33-15(7-13(27)8-28-33)23(43)34-14(5-6-25(2,3)32-34)20(40)31-26(4,11-36)24(44)45-10-17(38)35-18(21(41)30-12)19(39)16(37)9-29-35/h9,12-16,18-19,28,32,36-37,39H,5-8,10-11H2,1-4H3,(H,30,41)(H,31,40) |
| InChI Key | KBWDESYXICMIBW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H39ClN8O10 |
| Molecular Weight | 659.10 g/mol |
| Exact Mass | 658.2477672 g/mol |
| Topological Polar Surface Area (TPSA) | 243.00 Ų |
| XlogP | -2.50 |
| There are no found synonyms. |
![2D Structure of 5-Chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23,29,29-tetramethyl-21-oxa-1,7,8,11,17,18,24,30-octazatetracyclo[24.4.0.03,8.013,18]triacont-16-ene-2,9,12,19,22,25-hexone](https://plantaedb.com/storage/docs/compounds/2023/11/22d15a80-85d9-11ee-a1a0-6fd379fc5c1a.jpg "2D Structure of 5-Chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23,29,29-tetramethyl-21-oxa-1,7,8,11,17,18,24,30-octazatetracyclo[24.4.0.03,8.013,18]triacont-16-ene-2,9,12,19,22,25-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.68% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.47% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.51% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.33% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.08% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.10% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.40% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.35% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.50% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.31% | 89.05% |
| CHEMBL204 | P00734 | Thrombin | 83.51% | 96.01% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.11% | 99.23% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 82.09% | 98.57% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.39% | 98.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.82% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.22% | 90.17% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.12% | 88.56% |
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 | 163079553 |
| LOTUS | LTS0072069 |
| wikiData | Q104170131 |