methyl 5-(2-acetyloxyethylidene)-6-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-4H-pyran-3-carboxylate
| Internal ID | 4c787259-02dc-4909-bab2-d8dab4a20c01 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | methyl 5-(2-acetyloxyethylidene)-6-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-4H-pyran-3-carboxylate |
| SMILES (Canonical) | CC(=O)OCC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)C(=O)OC)CC(=O)OCCC4=CC(=C(C=C4)O)O |
| SMILES (Isomeric) | CC(=O)OCC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)C(=O)OC)CC(=O)OCCC4=CC(=C(C=C4)O)O |
| InChI | InChI=1S/C33H44O20/c1-14(36)47-8-6-16-17(10-23(39)48-7-5-15-3-4-19(37)20(38)9-15)18(30(45)46-2)13-49-31(16)53-33-28(44)29(25(41)22(12-35)51-33)52-32-27(43)26(42)24(40)21(11-34)50-32/h3-4,6,9,13,17,21-22,24-29,31-35,37-38,40-44H,5,7-8,10-12H2,1-2H3 |
| InChI Key | MWSTWRUGKQUDPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H44O20 |
| Molecular Weight | 760.70 g/mol |
| Exact Mass | 760.24259379 g/mol |
| Topological Polar Surface Area (TPSA) | 307.00 Ų |
| XlogP | -2.70 |
| There are no found synonyms. |
![2D Structure of methyl 5-(2-acetyloxyethylidene)-6-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-4H-pyran-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/fb90f060-86ca-11ee-a21b-f9ca79b65d78.jpg "2D Structure of methyl 5-(2-acetyloxyethylidene)-6-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-4H-pyran-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.40% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.84% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.47% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.19% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.35% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.35% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.65% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.79% | 98.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.86% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.57% | 96.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.32% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.10% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.06% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.30% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.16% | 94.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.11% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.28% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.13% | 94.80% |
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.
| Osmanthus heterophyllus |
| PubChem | 162921369 |
| LOTUS | LTS0085656 |
| wikiData | Q105173760 |