[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-2-phenylpropanoate
| Internal ID | 5dcf9f83-8383-4db8-ae73-94f3eb056d8c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar acids and derivatives |
| IUPAC Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-2-phenylpropanoate |
| SMILES (Canonical) | C1=CC=C(C=C1)C(CO)C(=O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C(CO)C(=O)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C15H20O8/c16-6-9(8-4-2-1-3-5-8)14(21)23-15-13(20)12(19)11(18)10(7-17)22-15/h1-5,9-13,15-20H,6-7H2 |
| InChI Key | NXWQDZYMPJYLPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O8 |
| Molecular Weight | 328.31 g/mol |
| Exact Mass | 328.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-2-phenylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/345-trihydroxy-6-hydroxymethyloxan-2-yl-3-hydroxy-2-phenylpropanoate.jpg "2D Structure of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-2-phenylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.77% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.01% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 95.47% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 94.71% | 94.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.67% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.91% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.64% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.40% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.83% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.21% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.77% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.25% | 96.00% |
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.
| Panax ginseng |
| PubChem | 14352569 |
| LOTUS | LTS0066774 |
| wikiData | Q105187358 |