[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-5-acetyloxy-3-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[4-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]phenoxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
| Internal ID | 1afe556a-a79d-47cc-9de0-33bc77804222 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-5-acetyloxy-3-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[4-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]phenoxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H55NO20/c1-20-37(58-23(4)46)38(62-40-35(52)33(50)31(48)28(60-40)18-55-21(2)44)39(63-41-36(53)34(51)32(49)29(61-41)19-56-22(3)45)42(57-20)59-27-13-8-25(9-14-27)16-17-43-30(47)15-10-24-6-11-26(54-5)12-7-24/h6-15,20,28-29,31-42,48-53H,16-19H2,1-5H3,(H,43,47)/t20-,28+,29+,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,41-,42-/m0/s1 |
| InChI Key | BAQZGZKEEFSETE-ZRAJBCCFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H55NO20 |
| Molecular Weight | 893.90 g/mol |
| Exact Mass | 893.33174314 g/mol |
| Topological Polar Surface Area (TPSA) | 294.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-5-acetyloxy-3-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[4-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]phenoxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e4d0cb80-84b3-11ee-983f-cf7584797a42.jpg "2D Structure of [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5S,6S)-5-acetyloxy-3-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[4-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]phenoxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate")
| 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 | 98.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.38% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.67% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.55% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 95.48% | 81.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.25% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.69% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.63% | 94.73% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 90.46% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.34% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.97% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.83% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.18% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.54% | 95.89% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.04% | 85.31% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 86.98% | 87.67% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.47% | 97.21% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.37% | 94.80% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.89% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.59% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.93% | 97.36% |
| CHEMBL5028 | O14672 | ADAM10 | 81.28% | 97.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.12% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.08% | 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.
| Teucrium viscidum |
| PubChem | 162859609 |
| LOTUS | LTS0014646 |
| wikiData | Q104922367 |