3-(3,4-Dihydroxyphenyl)-2-[1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]oxypropanoic acid
| Internal ID | 89a23877-16de-4f5f-9f6f-bf1b136f507d |
| Taxonomy | Phenylpropanoids and polyketides > Phenylpropanoic acids |
| IUPAC Name | 3-(3,4-dihydroxyphenyl)-2-[1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]oxypropanoic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1CC(C(=O)O)OC(=CC2=CC(=C(C=C2)O)O)C=O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1CC(C(=O)O)OC(=CC2=CC(=C(C=C2)O)O)C=O)O)O |
| InChI | InChI=1S/C18H16O8/c19-9-12(5-10-1-3-13(20)15(22)6-10)26-17(18(24)25)8-11-2-4-14(21)16(23)7-11/h1-7,9,17,20-23H,8H2,(H,24,25) |
| InChI Key | TVHVQJFBWRLYOD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O8 |
| Molecular Weight | 360.30 g/mol |
| Exact Mass | 360.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 3-(3,4-Dihydroxyphenyl)-2-[1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]oxypropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-34-dihydroxyphenyl-2-1-34-dihydroxyphenyl-3-oxoprop-1-en-2-yloxypropanoic-acid.jpg "2D Structure of 3-(3,4-Dihydroxyphenyl)-2-[1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]oxypropanoic 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.79% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.51% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.75% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.13% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.81% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.22% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.77% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 89.06% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.95% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.88% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.73% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.47% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.73% | 90.24% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.33% | 96.12% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.23% | 94.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.51% | 95.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.29% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.10% | 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.
| Rosmarinus officinalis |
| PubChem | 162851105 |
| LOTUS | LTS0033375 |
| wikiData | Q105265302 |