[5-Benzoyloxy-3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
| Internal ID | 1606a82a-6d4d-47f6-ad2b-ea260be18e44 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [5-benzoyloxy-3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate |
| SMILES (Canonical) | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)O)CO)OC(=O)C4=CC=CC=C4)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)O)CO)OC(=O)C4=CC=CC=C4)O)O |
| InChI | InChI=1S/C27H26O10/c28-14-18-13-19(29)11-12-20(18)35-27-24(37-26(33)17-9-5-2-6-10-17)23(31)22(30)21(36-27)15-34-25(32)16-7-3-1-4-8-16/h1-13,21-24,27-31H,14-15H2 |
| InChI Key | NBPRRRYDSFMIFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H26O10 |
| Molecular Weight | 510.50 g/mol |
| Exact Mass | 510.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [5-Benzoyloxy-3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/5-benzoyloxy-34-dihydroxy-6-4-hydroxy-2-hydroxymethylphenoxyoxan-2-ylmethyl-benzoate.jpg "2D Structure of [5-Benzoyloxy-3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 93.72% | 83.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.36% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.28% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.25% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.23% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.77% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.15% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.00% | 94.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.87% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.61% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.61% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 84.55% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.88% | 89.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.82% | 89.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.16% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.72% | 95.89% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.59% | 93.04% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.53% | 95.93% |
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.
| Itoa orientalis |
| PubChem | 75049635 |
| LOTUS | LTS0077790 |
| wikiData | Q105226875 |