[4-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | 24962502-a4c3-48be-8224-fd477c490ef7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H48O19/c1-15-25(42)27(44)29(46)35(50-15)55-33-28(45)26(43)16(2)51-36(33)54-32-30(47)34(49-11-10-18-4-7-19(38)21(40)12-18)52-23(14-37)31(32)53-24(41)9-6-17-5-8-20(39)22(13-17)48-3/h4-9,12-13,15-16,23,25-40,42-47H,10-11,14H2,1-3H3 |
| InChI Key | VJZBGZNQVVWWSO-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C36H48O19 |
| Molecular Weight | 784.80 g/mol |
| Exact Mass | 784.27897930 g/mol |
| Topological Polar Surface Area (TPSA) | 293.00 Ų |
| XlogP | -1.30 |
| There are no found synonyms. |
![2D Structure of [4-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/bc588a20-8519-11ee-90cd-53a112a2c573.jpg "2D Structure of [4-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate")
| 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 | 99.75% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.01% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.49% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.82% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 95.22% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.59% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.57% | 99.17% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 93.30% | 97.36% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.10% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.56% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.46% | 98.95% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.64% | 80.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.01% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.59% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.36% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.32% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.18% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.18% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.10% | 94.45% |
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.
| Phlomis linearis |
| PubChem | 3083271 |
| LOTUS | LTS0199927 |
| wikiData | Q105287608 |