[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]oxyoxan-2-yl]methyl acetate
| Internal ID | 2b6a9aa2-1953-4bdc-aec2-be2822a96d60 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]oxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | CC(C(C1=CC=CC=C1)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | C[C@@H]([C@H](C1=CC=CC=C1)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C25H32O12/c1-13(21(33-15(3)27)19-10-8-7-9-11-19)32-25-24(36-18(6)30)23(35-17(5)29)22(34-16(4)28)20(37-25)12-31-14(2)26/h7-11,13,20-25H,12H2,1-6H3/t13-,20+,21+,22+,23-,24+,25+/m0/s1 |
| InChI Key | AOVXJHNVUJJCNT-XMJXIWAVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O12 |
| Molecular Weight | 524.50 g/mol |
| Exact Mass | 524.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]oxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e4186610-81f0-11ee-be86-07e1081f9132.jpg "2D Structure of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,2S)-1-acetyloxy-1-phenylpropan-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 | 96.72% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.70% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.46% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.11% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.69% | 83.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.57% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.05% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 85.64% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.20% | 95.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.39% | 94.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.35% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.65% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.30% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.15% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.14% | 93.56% |
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.
| Physalis peruviana |
| PubChem | 163044451 |
| LOTUS | LTS0271962 |
| wikiData | Q104915992 |