3-methoxy-2-methyl-5-[7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctyl]-5,6,7,8-tetrahydro-1H-quinolin-4-one
| Internal ID | 62fbf724-2aaa-487f-ae09-96e295ba4165 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 3-methoxy-2-methyl-5-[7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctyl]-5,6,7,8-tetrahydro-1H-quinolin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H41NO8/c1-14(33-25-23(31)22(30)20(28)18(13-27)34-25)9-6-4-5-7-10-16-11-8-12-17-19(16)21(29)24(32-3)15(2)26-17/h14,16,18,20,22-23,25,27-28,30-31H,4-13H2,1-3H3,(H,26,29) |
| InChI Key | AAIFDTKGUYHLAI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H41NO8 |
| Molecular Weight | 483.60 g/mol |
| Exact Mass | 483.28321727 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 3-methoxy-2-methyl-5-[7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctyl]-5,6,7,8-tetrahydro-1H-quinolin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/76240e10-85b5-11ee-b17b-31941d5b0614.jpg "2D Structure of 3-methoxy-2-methyl-5-[7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctyl]-5,6,7,8-tetrahydro-1H-quinolin-4-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.00% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.50% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.70% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.87% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.79% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.45% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.89% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.55% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.51% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.49% | 93.99% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 88.81% | 93.18% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.46% | 92.50% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.71% | 96.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.50% | 93.56% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.31% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.14% | 83.82% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.94% | 95.92% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.85% | 86.92% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.75% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.63% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.54% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.90% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.74% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.50% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.42% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.34% | 96.47% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.16% | 87.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.25% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.18% | 95.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.32% | 94.33% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.31% | 97.47% |
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.
| Antidesma membranaceum |
| PubChem | 162918931 |
| LOTUS | LTS0078964 |
| wikiData | Q104665490 |