3-[4-[3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid
| Internal ID | c5f41647-df34-4b72-b734-4fe17c86e768 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 3-[4-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)C=CC(=O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)C=CC(=O)O)O)O)O)O |
| InChI | InChI=1S/C24H24O10/c25-16-7-1-14(2-8-16)6-12-20(28)32-13-18-21(29)22(30)23(31)24(34-18)33-17-9-3-15(4-10-17)5-11-19(26)27/h1-12,18,21-25,29-31H,13H2,(H,26,27) |
| InChI Key | KIUPQVRHLUTCHS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O10 |
| Molecular Weight | 472.40 g/mol |
| Exact Mass | 472.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 3-[4-[3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8cfb0200-8612-11ee-8ddf-b16b7b407130.jpg "2D Structure of 3-[4-[3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxyphenyl]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.71% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.93% | 86.33% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 93.98% | 97.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.58% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.39% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.49% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.37% | 97.09% |
| CHEMBL3194 | P02766 | Transthyretin | 88.33% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.92% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.57% | 89.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.11% | 89.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.95% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.25% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.28% | 91.49% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.76% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.20% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.07% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.91% | 94.73% |
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.
| Bidens pilosa |
| Syagrus romanzoffiana |
| PubChem | 72744327 |
| LOTUS | LTS0235827 |
| wikiData | Q105141688 |