5-hydroxy-1,2-dimethyl-4-[2-methyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoyl]-2H-pyrrol-3-one
| Internal ID | 9c26ae4d-2322-4fe7-b624-60af606766bf |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 5-hydroxy-1,2-dimethyl-4-[2-methyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoyl]-2H-pyrrol-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H51NO9/c1-19(23(32)22-24(33)20(2)30(3)28(22)37)16-14-12-10-8-6-4-5-7-9-11-13-15-17-38-29-27(36)26(35)25(34)21(18-31)39-29/h19-21,25-27,29,31,34-37H,4-18H2,1-3H3 |
| InChI Key | NHTZEZZBJRROIH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H51NO9 |
| Molecular Weight | 557.70 g/mol |
| Exact Mass | 557.35638220 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-1,2-dimethyl-4-[2-methyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoyl]-2H-pyrrol-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/c21e1120-8796-11ee-a6a2-2fa0018c0840.jpg "2D Structure of 5-hydroxy-1,2-dimethyl-4-[2-methyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoyl]-2H-pyrrol-3-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 | 97.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.41% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.33% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.11% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.68% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.65% | 90.08% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.14% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.34% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.89% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.86% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.78% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.30% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.20% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.42% | 97.25% |
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 | 21777171 |
| LOTUS | LTS0078613 |
| wikiData | Q105179584 |