8,5'-Diferulic acid
| Internal ID | 6ba60536-011b-4054-ae64-b88da99c12e5 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | (E)-2-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)C(=CC2=CC(=C(C=C2)O)OC)C(=O)O)C=CC(=O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)/C(=C\C2=CC(=C(C=C2)O)OC)/C(=O)O)/C=C/C(=O)O |
| InChI | InChI=1S/C20H18O8/c1-27-16-9-11(3-5-15(16)21)8-14(20(25)26)13-7-12(4-6-18(22)23)10-17(28-2)19(13)24/h3-10,21,24H,1-2H3,(H,22,23)(H,25,26)/b6-4+,14-8+ |
| InChI Key | DEPVSDIYICBTJE-SITOFEAGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H18O8 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 2.70 |
| 5-8'-Dehydrodiferulic acid |
| 8,5'-DiFA |
| Ferulic acid 8-5-dehydrodimer |
| SCHEMBL20549053 |
| CHEBI:88363 |
| DTXSID201045390 |
| Q15410237 |
| (2E)-2-{5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| (E)-2-(5-((E)-2-Carboxyvinyl)-2-hydroxy-3-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid |
| (E)-2-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.36% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.39% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.94% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 93.28% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.94% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.61% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.18% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.21% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.96% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.47% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.43% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.44% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.22% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.13% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.30% | 94.45% |
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.
| There are no matching plants. |
| PubChem | 10385447 |
| LOTUS | LTS0138055 |
| wikiData | Q15410237 |