3-Phenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-2-enoic acid
| Internal ID | af9e3b7e-fbec-4d0e-96fd-312cf3430bc2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 3-phenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-2-enoic acid |
| SMILES (Canonical) | C1=CC=C(C=C1)C=C(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C=C(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C15H18O8/c16-7-10-11(17)12(18)13(19)15(23-10)22-9(14(20)21)6-8-4-2-1-3-5-8/h1-6,10-13,15-19H,7H2,(H,20,21) |
| InChI Key | IFJZNZBKGRGNSP-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 | -0.10 |
| There are no found synonyms. |
![2D Structure of 3-Phenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-phenyl-2-345-trihydroxy-6-hydroxymethyloxan-2-yloxyprop-2-enoic-acid.jpg "2D Structure of 3-Phenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-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 | 97.19% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.47% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.39% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.46% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.64% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.10% | 94.62% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 87.61% | 94.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.09% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.96% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.74% | 98.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.69% | 94.08% |
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.
| Codonopsis pilosula subsp. tangshen |
| Onobrychis viciifolia |
| PubChem | 76031018 |
| LOTUS | LTS0204042 |
| wikiData | Q105112219 |