2-[4,5-Dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-2-phenylacetonitrile
| Internal ID | 80cb65e6-60b3-473a-a362-46d9b758d11f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2-[4,5-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-2-phenylacetonitrile |
| SMILES (Canonical) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)OC(C#N)C3=CC=CC=C3 |
| SMILES (Isomeric) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)OC(C#N)C3=CC=CC=C3 |
| InChI | InChI=1S/C19H25NO10/c20-6-10(9-4-2-1-3-5-9)29-11-7-27-19(17(25)14(11)22)28-8-12-13(21)15(23)16(24)18(26)30-12/h1-5,10-19,21-26H,7-8H2 |
| InChI Key | DZJLRANKGDFPKD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H25NO10 |
| Molecular Weight | 427.40 g/mol |
| Exact Mass | 427.14784599 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | -2.60 |
| There are no found synonyms. |
![2D Structure of 2-[4,5-Dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-2-phenylacetonitrile](https://plantaedb.com/storage/docs/compounds/2023/11/2-45-dihydroxy-6-3456-tetrahydroxyoxan-2-ylmethoxyoxan-3-yloxy-2-phenylacetonitrile.jpg "2D Structure of 2-[4,5-Dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-2-phenylacetonitrile")
| 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 | 98.74% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.30% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.05% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.02% | 95.93% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.45% | 95.83% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.45% | 83.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.28% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.25% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 83.69% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.63% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.67% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.63% | 89.62% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.93% | 97.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.93% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.50% | 83.57% |
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.
| Gerbera jamesonii |
| PubChem | 162887617 |
| LOTUS | LTS0101221 |
| wikiData | Q104991835 |