16-Ethyl-6,8,9-trihydroxy-12,25,27-trimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,24,28-tetrone
| Internal ID | e3f0c11a-527d-421d-92dc-8de931cde49a |
| Taxonomy | Phenylpropanoids and polyketides > Macrolide lactams |
| IUPAC Name | 16-ethyl-6,8,9-trihydroxy-12,25,27-trimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,24,28-tetrone |
| SMILES (Canonical) | CCCC1C(=O)NCC(CC(C(CCC(=CC=CC(CCCC(=O)CCCC(=O)C(CC(C(=O)O1)C)C)CC)C)O)O)O |
| SMILES (Isomeric) | CCCC1C(=O)NCC(CC(C(CCC(=CC=CC(CCCC(=O)CCCC(=O)C(CC(C(=O)O1)C)C)CC)C)O)O)O |
| InChI | InChI=1S/C34H57NO8/c1-6-11-32-33(41)35-22-28(37)21-31(40)30(39)19-18-23(3)12-8-13-26(7-2)14-9-15-27(36)16-10-17-29(38)24(4)20-25(5)34(42)43-32/h8,12-13,24-26,28,30-32,37,39-40H,6-7,9-11,14-22H2,1-5H3,(H,35,41) |
| InChI Key | MZSJHVJRPLCXRN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H57NO8 |
| Molecular Weight | 607.80 g/mol |
| Exact Mass | 607.40841778 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 4.40 |
| 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 | 97.84% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.44% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.30% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.64% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.11% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.77% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.46% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.68% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.46% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.40% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.36% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.35% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.38% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.92% | 90.08% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.34% | 95.93% |
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 | 162847880 |
| LOTUS | LTS0224462 |
| wikiData | Q105176015 |