methyl (2S,3S,4S,5R,6S)-4,5-dimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
| Internal ID | cc1eb642-b032-4d7d-9147-af418f588285 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | methyl (2S,3S,4S,5R,6S)-4,5-dimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane-2-carboxylate |
| SMILES (Canonical) | COCC1C(C(C(C(O1)OC2C(C(C(OC2C(=O)OC)OC(C(COC)OC)C(C(COC)OC)OC)OC)OC)OC)OC)OC |
| SMILES (Isomeric) | COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)OC)O[C@H]([C@@H](COC)OC)[C@H]([C@H](COC)OC)OC)OC)OC)OC)OC)OC |
| InChI | InChI=1S/C30H56O17/c1-32-13-16(35-4)19(37-6)21(17(36-5)14-33-2)45-30-27(42-11)23(40-9)24(25(47-30)28(31)43-12)46-29-26(41-10)22(39-8)20(38-7)18(44-29)15-34-3/h16-27,29-30H,13-15H2,1-12H3/t16-,17+,18+,19-,20+,21+,22-,23-,24-,25-,26+,27+,29-,30-/m0/s1 |
| InChI Key | MAXFIJPNDKVFGB-SGQCBPMKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H56O17 |
| Molecular Weight | 688.80 g/mol |
| Exact Mass | 688.35175031 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of methyl (2S,3S,4S,5R,6S)-4,5-dimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/19043900-855a-11ee-b67f-17381ef2cbf7.jpg "2D Structure of methyl (2S,3S,4S,5R,6S)-4,5-dimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane-2-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 | 96.58% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.66% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.59% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.77% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.65% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.60% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.95% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.82% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.75% | 94.45% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.83% | 94.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.26% | 92.50% |
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.
| There are no matching plants. |
| PubChem | 162892440 |
| LOTUS | LTS0133716 |
| wikiData | Q105160560 |