5-Chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-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 | c52db7cf-cb87-44cb-9d9d-d7e96b815656 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 5-chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-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(CCCN3)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(CCCN3)C(=O)NC(C(=O)OCC(=O)N4C(C(C(C=N4)O)O)C(=O)N1)(C)CO |
| InChI | InChI=1S/C24H35ClN8O10/c1-11-21(40)32-14(6-12(25)7-27-32)22(41)31-13(4-3-5-26-31)19(38)30-24(2,10-34)23(42)43-9-16(36)33-17(20(39)29-11)18(37)15(35)8-28-33/h8,11-15,17-18,26-27,34-35,37H,3-7,9-10H2,1-2H3,(H,29,39)(H,30,38) |
| InChI Key | AKKGAIKLKJWDBP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H35ClN8O10 |
| Molecular Weight | 631.00 g/mol |
| Exact Mass | 630.2164670 g/mol |
| Topological Polar Surface Area (TPSA) | 243.00 Ų |
| XlogP | -3.10 |
| There are no found synonyms. |
![2D Structure of 5-Chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-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/fca88180-860f-11ee-89e8-cf6449640c90.jpg "2D Structure of 5-Chloro-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-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 | 98.04% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.31% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.34% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.00% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.84% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.83% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.66% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.53% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.49% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.19% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.80% | 99.23% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.60% | 86.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.91% | 95.51% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.86% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.47% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.90% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.86% | 88.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.23% | 89.00% |
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 | 162814736 |
| LOTUS | LTS0076371 |
| wikiData | Q103816199 |