Glucopiericidinol A1
| Internal ID | e13cbbeb-f70e-4451-9dfe-a4b2e1319aea |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | 2-[(1E,5E,7E,11E)-3-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H47NO10/c1-9-18(3)27(42-30-26(37)25(36)24(35)22(16-33)41-30)19(4)15-17(2)11-10-13-31(6,38)14-12-21-20(5)23(34)28(39-7)29(32-21)40-8/h9-12,14-15,19,22,24-27,30,33,35-38H,13,16H2,1-8H3,(H,32,34)/b11-10+,14-12+,17-15+,18-9+/t19?,22-,24-,25+,26-,27?,30+,31?/m1/s1 |
| InChI Key | FXKCPQKAYSQRGI-GDXSFRBMSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C31H47NO10 |
| Molecular Weight | 593.70 g/mol |
| Exact Mass | 593.31999670 g/mol |
| Topological Polar Surface Area (TPSA) | 167.00 Ų |
| XlogP | 3.00 |
| Glucopiericidinol A2 |
| 125535-05-9 |
| 125591-38-0 |
| 2-[(1E,5E,7E,11E)-3-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one |
| beta-D-Glucopyranoside, 8-hydroxy-10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-2,4,8-trimethyl-1-(1-methyl-1-propenyl)-3,5,9-decatrienyl |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.39% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.44% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.98% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.46% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.94% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.89% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.29% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.95% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.06% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.49% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.48% | 89.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.91% | 96.47% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.72% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.62% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.18% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.82% | 96.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.72% | 90.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.75% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.62% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.33% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.77% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.55% | 92.68% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.90% | 90.08% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.39% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.83% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.27% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 6439218 |
| LOTUS | LTS0110695 |
| wikiData | Q105003981 |