methyl 3-formyl-2-methyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-3,4-dihydro-2H-pyran-5-carboxylate
| Internal ID | 13134834-54b9-4a86-abb3-57f60e956a21 |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | methyl 3-formyl-2-methyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-3,4-dihydro-2H-pyran-5-carboxylate |
| SMILES (Canonical) | CC1C(C(C(=CO1)C(=O)OC)CC(=O)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)C=O |
| SMILES (Isomeric) | CC1C(C(C(=CO1)C(=O)OC)CC(=O)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)C=O |
| InChI | InChI=1S/C25H32O12/c1-13-17(10-26)16(18(11-35-13)24(32)33-2)9-20(28)36-12-19-21(29)22(30)23(31)25(37-19)34-8-7-14-3-5-15(27)6-4-14/h3-6,10-11,13,16-17,19,21-23,25,27,29-31H,7-9,12H2,1-2H3 |
| InChI Key | UFPOZADSZLUVBX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O12 |
| Molecular Weight | 524.50 g/mol |
| Exact Mass | 524.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of methyl 3-formyl-2-methyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-3,4-dihydro-2H-pyran-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/78b56e60-867b-11ee-95e1-3b1551451a81.jpg "2D Structure of methyl 3-formyl-2-methyl-4-[2-oxo-2-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-3,4-dihydro-2H-pyran-5-carboxylate")
| 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 | 97.79% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.04% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.88% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.71% | 86.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 92.03% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.61% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.94% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.75% | 91.49% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.48% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.47% | 95.89% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.29% | 95.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.82% | 95.89% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.58% | 85.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.21% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.18% | 94.33% |
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.
| Ligustrum lucidum |
| PubChem | 162865728 |
| LOTUS | LTS0038516 |
| wikiData | Q105272022 |