3-[6-(3,5-dimethylheptyl)tetrahydro-2H-pyran-2-yl]-4-hydroxy-1-methyl-5-(2,3,4,5-tetrahydroxycyclopentyl)-2(1H)-pyridinone
| Internal ID | 749d0cb9-c1a5-4596-9316-143b971c70aa |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Pyridinones |
| IUPAC Name | 3-[6-(3,5-dimethylheptyl)oxan-2-yl]-4-hydroxy-1-methyl-5-(2,3,4,5-tetrahydroxycyclopentyl)pyridin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H41NO7/c1-5-13(2)11-14(3)9-10-15-7-6-8-17(33-15)19-20(27)16(12-26(4)25(19)32)18-21(28)23(30)24(31)22(18)29/h12-15,17-18,21-24,27-31H,5-11H2,1-4H3 |
| InChI Key | PCXGABLZLXTHMH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H41NO7 |
| Molecular Weight | 467.60 g/mol |
| Exact Mass | 467.28830265 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 1.20 |
| 3-[6-(3,5-dimethylheptyl)tetrahydro-2H-pyran-2-yl]-4-hydroxy-1-methyl-5-(2,3,4,5-tetrahydroxycyclopentyl)-2(1H)-pyridinone |
| AS-2077715 |
| 3-[6-(3,5-dimethylheptyl)oxan-2-yl]-4-hydroxy-1-methyl-5-(2,3,4,5-tetrahydroxycyclopentyl)pyridin-2-one |
| AS2077715 |
| SCHEMBL96334 |
| BS-1332 |
![2D Structure of 3-[6-(3,5-dimethylheptyl)tetrahydro-2H-pyran-2-yl]-4-hydroxy-1-methyl-5-(2,3,4,5-tetrahydroxycyclopentyl)-2(1H)-pyridinone](https://plantaedb.com/storage/docs/compounds/2023/11/54d24f50-86fd-11ee-ae43-f94618c9fb50.jpg "2D Structure of 3-[6-(3,5-dimethylheptyl)tetrahydro-2H-pyran-2-yl]-4-hydroxy-1-methyl-5-(2,3,4,5-tetrahydroxycyclopentyl)-2(1H)-pyridinone")
| 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 | 99.13% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.31% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.80% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 96.39% | 90.71% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.43% | 94.45% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 93.05% | 98.46% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.70% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.48% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.93% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.28% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.01% | 95.93% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.40% | 90.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.14% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.88% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.37% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.00% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.83% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.95% | 100.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.20% | 83.57% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 54747770 |
| LOTUS | LTS0212822 |
| wikiData | Q104194358 |