[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R)-1,5-bis(3,4-diacetyloxyphenyl)-1-methoxy-5-oxopentan-2-yl]oxyoxan-2-yl]methyl acetate
| Internal ID | 2fb63df3-fe8e-45ad-b67e-294444de7002 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R)-1,5-bis(3,4-diacetyloxyphenyl)-1-methoxy-5-oxopentan-2-yl]oxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OC(CCC(=O)C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CCC(=O)C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)[C@@H](C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C40H46O20/c1-19(41)51-18-35-37(56-24(6)46)38(57-25(7)47)39(58-26(8)48)40(60-35)59-32(36(50-9)28-11-14-31(53-21(3)43)34(17-28)55-23(5)45)15-12-29(49)27-10-13-30(52-20(2)42)33(16-27)54-22(4)44/h10-11,13-14,16-17,32,35-40H,12,15,18H2,1-9H3/t32-,35-,36-,37-,38+,39-,40-/m1/s1 |
| InChI Key | GJGVQYBUBAVMPV-NHZHIKGTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C40H46O20 |
| Molecular Weight | 846.80 g/mol |
| Exact Mass | 846.25824385 g/mol |
| Topological Polar Surface Area (TPSA) | 255.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R)-1,5-bis(3,4-diacetyloxyphenyl)-1-methoxy-5-oxopentan-2-yl]oxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/330f1f00-829e-11ee-9572-7f30e1af7d77.jpg "2D Structure of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R)-1,5-bis(3,4-diacetyloxyphenyl)-1-methoxy-5-oxopentan-2-yl]oxyoxan-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.24% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.59% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.74% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.23% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.41% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.03% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.27% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.71% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.52% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.38% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.80% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.78% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.13% | 94.80% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.40% | 96.90% |
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 | 162886266 |
| LOTUS | LTS0228685 |
| wikiData | Q105009383 |