[(2R,3S,4R,5R,6R)-2-[2-[[(1S,6S)-1,6-dihydroxycyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate
| Internal ID | 6d3de802-2012-4547-b594-3b9ffce7ed98 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3S,4R,5R,6R)-2-[2-[[(1S,6S)-1,6-dihydroxycyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H30O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19-23,25,28-31,34H,6,12,14-15H2/t19-,20+,21+,22-,23+,25+,27+/m1/s1 |
| InChI Key | VMTVSRVEQGYRCZ-RFONQLSFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O11 |
| Molecular Weight | 530.50 g/mol |
| Exact Mass | 530.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R,6R)-2-[2-[[(1S,6S)-1,6-dihydroxycyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/49458590-8720-11ee-ae85-7b9ac18dc877.jpg "2D Structure of [(2R,3S,4R,5R,6R)-2-[2-[[(1S,6S)-1,6-dihydroxycyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate")
| 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 | 97.36% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.69% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.57% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.96% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.85% | 95.93% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 90.77% | 94.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.50% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.26% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.97% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.84% | 96.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.51% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.38% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.92% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.54% | 90.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 83.32% | 93.04% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.29% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.15% | 92.62% |
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.
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| There are no matching plants. |
| PubChem | 101731472 |
| LOTUS | LTS0203347 |
| wikiData | Q105289289 |