16-Ethyl-6,8,9-trihydroxy-12,25,27-trimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
| Internal ID | d4dd4a1d-32b3-4973-94ed-b95589c3fda8 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 16-ethyl-6,8,9-trihydroxy-12,25,27-trimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H59NO7/c1-6-12-32-33(40)35-23-29(37)22-31(39)30(38)20-19-24(3)14-10-15-27(7-2)16-11-18-28(36)17-9-8-13-25(4)21-26(5)34(41)42-32/h10,14-15,25-27,29-32,37-39H,6-9,11-13,16-23H2,1-5H3,(H,35,40) |
| InChI Key | QTLCLULKZUFQLC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H59NO7 |
| Molecular Weight | 593.80 g/mol |
| Exact Mass | 593.42915322 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 6.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.07% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.18% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.18% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.28% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.92% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.71% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.64% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.01% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.19% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.51% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.15% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.66% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.70% | 93.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.37% | 100.00% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 82.32% | 95.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.91% | 95.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.89% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.28% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.27% | 90.08% |
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 | 85155484 |
| LOTUS | LTS0082059 |
| wikiData | Q105227778 |