[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | 39fd14c8-6d6b-40b6-8651-3681fbcbb62a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1/C=C/C(=O)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O |
| InChI | InChI=1S/C24H16O10/c25-13-9-18(30)21-19(10-13)33-23(12-3-5-15(27)17(29)8-12)24(22(21)32)34-20(31)6-2-11-1-4-14(26)16(28)7-11/h1-10,25-30H/b6-2+ |
| InChI Key | GQGMJHMGQNIKKD-QHHAFSJGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H16O10 |
| Molecular Weight | 464.40 g/mol |
| Exact Mass | 464.07434670 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-34-dihydroxyphenyl-57-dihydroxy-4-oxochromen-3-yl-e-3-34-dihydroxyphenylprop-2-enoate.jpg "2D Structure of [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate")
| 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 | 99.46% | 91.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 98.31% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.95% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 97.72% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.87% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.33% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.27% | 94.45% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 90.67% | 80.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.15% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.98% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.71% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.61% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.44% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.59% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.57% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.00% | 95.78% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.50% | 95.64% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.69% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.25% | 90.00% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 80.24% | 89.49% |
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 |
| PubChem | 102394640 |
| LOTUS | LTS0127943 |
| wikiData | Q105015361 |