2-[4-[2-Carboxy-2-[4-(2-carboxyethenyl)-2-methoxyphenoxy]ethenyl]-2-methoxyphenoxy]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
| Internal ID | fddccb23-3178-45f5-b58e-1ed9c3ecc75a |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenylpyruvic acid derivatives |
| IUPAC Name | 2-[4-[2-carboxy-2-[4-(2-carboxyethenyl)-2-methoxyphenoxy]ethenyl]-2-methoxyphenoxy]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)O)OC(=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)OC)C(=O)O)OC)C(=O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)O)OC(=CC2=CC(=C(C=C2)OC(=CC3=CC(=C(C=C3)O)OC)C(=O)O)OC)C(=O)O |
| InChI | InChI=1S/C30H26O12/c1-38-23-13-18(4-8-20(23)31)15-26(29(34)35)42-22-10-6-19(14-25(22)40-3)16-27(30(36)37)41-21-9-5-17(7-11-28(32)33)12-24(21)39-2/h4-16,31H,1-3H3,(H,32,33)(H,34,35)(H,36,37) |
| InChI Key | UWXGIJKBCAIMFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 2-[4-[2-Carboxy-2-[4-(2-carboxyethenyl)-2-methoxyphenoxy]ethenyl]-2-methoxyphenoxy]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5e323ab0-86f6-11ee-9d35-f36db07b557d.jpg "2D Structure of 2-[4-[2-Carboxy-2-[4-(2-carboxyethenyl)-2-methoxyphenoxy]ethenyl]-2-methoxyphenoxy]-3-(4-hydroxy-3-methoxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.88% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 94.62% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.31% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.94% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.67% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.66% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.43% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.71% | 89.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.65% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.11% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.37% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.40% | 91.49% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.40% | 95.50% |
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.
| Centella asiatica |
| Fatsia japonica |
| PubChem | 73804523 |
| LOTUS | LTS0147174 |
| wikiData | Q105280602 |