3-[4-[4,5,6-Trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyphenyl]prop-2-enoic acid
| Internal ID | 2e2fd26f-e94c-45ff-8937-bdd249294d30 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses |
| IUPAC Name | 3-[4-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyphenyl]prop-2-enoic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)O)OC2C(OC(C(C2O)O)O)CO |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)O)OC2C(OC(C(C2O)O)O)CO |
| InChI | InChI=1S/C15H18O8/c16-7-10-14(12(19)13(20)15(21)23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18) |
| InChI Key | IHMJMBPCCMPFDW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O8 |
| Molecular Weight | 326.30 g/mol |
| Exact Mass | 326.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 3-[4-[4,5,6-Trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyphenyl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-456-trihydroxy-2-hydroxymethyloxan-3-yloxyphenylprop-2-enoic-acid.jpg "2D Structure of 3-[4-[4,5,6-Trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyphenyl]prop-2-enoic acid")
| 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 | 95.85% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.47% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.44% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.01% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.92% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.70% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.84% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.76% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.33% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.18% | 89.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.24% | 89.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.46% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.70% | 83.82% |
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.
| Carallia brachiata |
| Sphagnum fallax |
| PubChem | 3363159 |
| LOTUS | LTS0158778 |
| wikiData | Q105113131 |