2-Ethyl-11-methyl-14-[1-[5-[2-(methylamino)pentyl]oxolan-2-yl]ethyl]-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
| Internal ID | fdb4147b-a52b-4e7b-8472-72f78b99d325 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 2-ethyl-11-methyl-14-[1-[5-[2-(methylamino)pentyl]oxolan-2-yl]ethyl]-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H59NO7/c1-7-10-23(35-6)18-25-12-15-29(38-25)21(4)32-20-27-14-17-31(40-27)28(9-3)34(37)41-24(11-8-2)19-26-13-16-30(39-26)22(5)33(36)42-32/h21-32,35H,7-20H2,1-6H3 |
| InChI Key | GWAGFXWDWGTKCD-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) | 92.30 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 2-Ethyl-11-methyl-14-[1-[5-[2-(methylamino)pentyl]oxolan-2-yl]ethyl]-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/31afa820-84bc-11ee-a90b-b331011530f0.jpg "2D Structure of 2-Ethyl-11-methyl-14-[1-[5-[2-(methylamino)pentyl]oxolan-2-yl]ethyl]-5-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.30% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.66% | 96.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.48% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.78% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.22% | 98.95% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.17% | 95.58% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.69% | 89.34% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.72% | 98.59% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.19% | 92.88% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.67% | 96.47% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.04% | 89.63% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 86.82% | 95.72% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.80% | 96.95% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 86.37% | 92.78% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.58% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.29% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.21% | 94.80% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.18% | 94.66% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.54% | 97.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.45% | 97.79% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 83.40% | 80.33% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 82.83% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.87% | 90.71% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.74% | 98.05% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.28% | 92.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.62% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.39% | 93.56% |
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.
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| There are no matching plants. |
| PubChem | 73792377 |
| LOTUS | LTS0061594 |
| wikiData | Q104167534 |