Sinapoylapfelsaure
| Internal ID | e6d94658-8587-48e6-b8f2-eaffbd4bb2f6 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | 2-hydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]butanedioic acid |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C=CC(=O)C(CC(=O)O)(C(=O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)C(CC(=O)O)(C(=O)O)O |
| InChI | InChI=1S/C15H16O9/c1-23-9-5-8(6-10(24-2)13(9)19)3-4-11(16)15(22,14(20)21)7-12(17)18/h3-6,19,22H,7H2,1-2H3,(H,17,18)(H,20,21)/b4-3+ |
| InChI Key | KTVLKWLYWMXIHT-ONEGZZNKSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C15H16O9 |
| Molecular Weight | 340.28 g/mol |
| Exact Mass | 340.07943208 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
| 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 | 96.27% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.68% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.44% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.33% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.83% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.82% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.25% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.72% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 85.56% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.77% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.06% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.01% | 94.73% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.06% | 90.20% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.14% | 92.68% |
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.
| Arabidopsis thaliana |
| PubChem | 129650237 |
| LOTUS | LTS0206039 |
| wikiData | Q105145986 |