16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-23,25-dimethyl-2-propyl-1-oxa-4-azacyclohexacosa-12,14-diene-3,26-dione
| Internal ID | edad3200-b9b3-446d-b2cf-9f87d19854df |
| Taxonomy | Phenylpropanoids and polyketides > Macrolide lactams |
| IUPAC Name | 16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-23,25-dimethyl-2-propyl-1-oxa-4-azacyclohexacosa-12,14-diene-3,26-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H59NO7/c1-6-13-31-32(38)34-22-28(35)21-30(37)29(36)19-18-27(23-40-5)17-12-16-26(7-2)15-11-9-8-10-14-24(3)20-25(4)33(39)41-31/h12,16-17,24-26,28-31,35-37H,6-11,13-15,18-23H2,1-5H3,(H,34,38) |
| InChI Key | WSMUPYVOXQGPTO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H59NO7 |
| Molecular Weight | 581.80 g/mol |
| Exact Mass | 581.42915322 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 6.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.00% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.03% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.17% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.95% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.14% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.64% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.25% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.86% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.73% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.22% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.87% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.76% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.78% | 96.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.41% | 93.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.85% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.04% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.38% | 95.56% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 162878909 |
| LOTUS | LTS0088371 |
| wikiData | Q105311969 |