(1S,2S,4S,8S,11S,13S,22R,23E,25R,26R)-22-ethyl-2,4,26-trihydroxy-26-(methoxymethyl)-11,13-dimethyl-8-propyl-9,29-dioxa-6-azabicyclo[23.3.1]nonacos-23-ene-7,10,18-trione
| Internal ID | e79317ee-d998-461f-be23-692c3fba5e36 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolide lactams |
| IUPAC Name | (1S,2S,4S,8S,11S,13S,22R,23E,25R,26R)-22-ethyl-2,4,26-trihydroxy-26-(methoxymethyl)-11,13-dimethyl-8-propyl-9,29-dioxa-6-azabicyclo[23.3.1]nonacos-23-ene-7,10,18-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H61NO9/c1-6-11-31-33(40)36-22-28(38)21-29(39)30-18-19-35(42,23-43-5)32(44-30)17-16-26(7-2)13-10-15-27(37)14-9-8-12-24(3)20-25(4)34(41)45-31/h16-17,24-26,28-32,38-39,42H,6-15,18-23H2,1-5H3,(H,36,40)/b17-16+/t24-,25-,26+,28-,29-,30-,31-,32+,35+/m0/s1 |
| InChI Key | WOIWDPBIEDJYKB-DNHVEFBISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H61NO9 |
| Molecular Weight | 639.90 g/mol |
| Exact Mass | 639.43463252 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (1S,2S,4S,8S,11S,13S,22R,23E,25R,26R)-22-ethyl-2,4,26-trihydroxy-26-(methoxymethyl)-11,13-dimethyl-8-propyl-9,29-dioxa-6-azabicyclo[23.3.1]nonacos-23-ene-7,10,18-trione](https://plantaedb.com/storage/docs/compounds/2023/11/1740a510-85d8-11ee-be9b-93970f7504d4.jpg "2D Structure of (1S,2S,4S,8S,11S,13S,22R,23E,25R,26R)-22-ethyl-2,4,26-trihydroxy-26-(methoxymethyl)-11,13-dimethyl-8-propyl-9,29-dioxa-6-azabicyclo[23.3.1]nonacos-23-ene-7,10,18-trione")
| 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 | 98.96% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.19% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.04% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.33% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.87% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.09% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.69% | 92.94% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.56% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.59% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.37% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.91% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.83% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.22% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.10% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.78% | 94.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.40% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.32% | 97.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.99% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.62% | 98.59% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.80% | 97.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.88% | 92.88% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.68% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.52% | 99.23% |
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 | 162898794 |
| LOTUS | LTS0170189 |
| wikiData | Q105309525 |