3-[6-(4,6-Dimethyloct-2-en-2-yl)-5-methyloxan-2-yl]-4-hydroxy-5-(1-hydroxy-4-oxocyclohexyl)-1-methylpyridin-2-one
| Internal ID | 556531f5-0b3f-4892-9063-d14a007d7728 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 3-[6-(4,6-dimethyloct-2-en-2-yl)-5-methyloxan-2-yl]-4-hydroxy-5-(1-hydroxy-4-oxocyclohexyl)-1-methylpyridin-2-one |
| SMILES (Canonical) | CCC(C)CC(C)C=C(C)C1C(CCC(O1)C2=C(C(=CN(C2=O)C)C3(CCC(=O)CC3)O)O)C |
| SMILES (Isomeric) | CCC(C)CC(C)C=C(C)C1C(CCC(O1)C2=C(C(=CN(C2=O)C)C3(CCC(=O)CC3)O)O)C |
| InChI | InChI=1S/C28H43NO5/c1-7-17(2)14-18(3)15-20(5)26-19(4)8-9-23(34-26)24-25(31)22(16-29(6)27(24)32)28(33)12-10-21(30)11-13-28/h15-19,23,26,31,33H,7-14H2,1-6H3 |
| InChI Key | HCEYJWLXDYOMJQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H43NO5 |
| Molecular Weight | 473.60 g/mol |
| Exact Mass | 473.31412347 g/mol |
| Topological Polar Surface Area (TPSA) | 87.10 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 3-[6-(4,6-Dimethyloct-2-en-2-yl)-5-methyloxan-2-yl]-4-hydroxy-5-(1-hydroxy-4-oxocyclohexyl)-1-methylpyridin-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/61c99ae0-8638-11ee-bfe3-4d4931d62e5d.jpg "2D Structure of 3-[6-(4,6-Dimethyloct-2-en-2-yl)-5-methyloxan-2-yl]-4-hydroxy-5-(1-hydroxy-4-oxocyclohexyl)-1-methylpyridin-2-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.44% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.71% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.13% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.83% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.63% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.42% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.29% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.14% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.22% | 96.38% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.72% | 98.59% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.28% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.59% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.50% | 97.09% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.98% | 98.46% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.69% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.67% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.25% | 95.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.53% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.44% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.32% | 83.82% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.34% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.21% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.18% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 76171672 |
| LOTUS | LTS0118575 |
| wikiData | Q104167694 |