3-Ethyl-2-[3,4,6-trihydroxy-10-(3-hydroxycyclohexyl)-3-methyldeca-1,7,9-trienyl]-2,3-dihydropyran-6-one
| Internal ID | de93c941-f1c6-41da-bc3f-96c735172764 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 3-ethyl-2-[3,4,6-trihydroxy-10-(3-hydroxycyclohexyl)-3-methyldeca-1,7,9-trienyl]-2,3-dihydropyran-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H36O6/c1-3-18-11-12-23(28)30-21(18)13-14-24(2,29)22(27)16-20(26)9-5-4-7-17-8-6-10-19(25)15-17/h4-5,7,9,11-14,17-22,25-27,29H,3,6,8,10,15-16H2,1-2H3 |
| InChI Key | XNMHAPGNSVZRGY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 3-Ethyl-2-[3,4,6-trihydroxy-10-(3-hydroxycyclohexyl)-3-methyldeca-1,7,9-trienyl]-2,3-dihydropyran-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/9c7e9cc0-872c-11ee-862e-17de3978de01.jpg "2D Structure of 3-Ethyl-2-[3,4,6-trihydroxy-10-(3-hydroxycyclohexyl)-3-methyldeca-1,7,9-trienyl]-2,3-dihydropyran-6-one")
| 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 | 98.90% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.15% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.05% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.78% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.52% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.97% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.80% | 93.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.29% | 85.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.22% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.98% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.47% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.17% | 96.47% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.64% | 92.88% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.78% | 90.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.73% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.42% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.66% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.08% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.71% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.41% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.90% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.81% | 89.34% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162815341 |
| LOTUS | LTS0081291 |
| wikiData | Q104201167 |