4-[(E,5S)-7-[(2S,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
| Internal ID | e9c34e4d-dd68-41c3-bbda-d0f7d16179e8 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 4-[(E,5S)-7-[(2S,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H37NO7/c1-16(20(28)11-8-9-19-14-22(30)27-23(31)15-19)13-17(2)26-18(3)25(33)21(29)10-6-4-5-7-12-24(32)34-26/h6-7,10,12-13,16,18-19,21,25-26,29,33H,4-5,8-9,11,14-15H2,1-3H3,(H,27,30,31)/b10-6+,12-7+,17-13+/t16-,18-,21-,25-,26+/m0/s1 |
| InChI Key | UBYNDTKCKXLUTH-NLNWNKRHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H37NO7 |
| Molecular Weight | 475.60 g/mol |
| Exact Mass | 475.25700252 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 4-[(E,5S)-7-[(2S,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/cd6ecda0-86df-11ee-ad00-7bfed0f8a82a.jpg "2D Structure of 4-[(E,5S)-7-[(2S,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.10% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.04% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.24% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.07% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.14% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.04% | 90.08% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 89.59% | 95.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.09% | 89.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.87% | 83.10% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.73% | 89.34% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.59% | 88.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.72% | 98.59% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.11% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.73% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.30% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.88% | 96.47% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.68% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.92% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.61% | 92.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.03% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.61% | 94.80% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.59% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.32% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.50% | 99.17% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 80.34% | 97.63% |
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 | 162967288 |
| LOTUS | LTS0216333 |
| wikiData | Q105269747 |