[3,4,5-Trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | ccc474d1-10a8-40db-8b69-ecab48632dd2 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Hydroxycinnamic acid glycosides |
| IUPAC Name | [3,4,5-trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O |
| InChI | InChI=1S/C24H26O14/c1-34-14-5-10(6-15(35-2)19(14)29)3-4-17(27)38-24-22(32)21(31)20(30)16(37-24)9-36-23(33)11-7-12(25)18(28)13(26)8-11/h3-8,16,20-22,24-26,28-32H,9H2,1-2H3 |
| InChI Key | SCXUKRFESVSQSS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O14 |
| Molecular Weight | 538.50 g/mol |
| Exact Mass | 538.13225550 g/mol |
| Topological Polar Surface Area (TPSA) | 222.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/56669d80-85f4-11ee-be9d-e9d73e63dc13.jpg "2D Structure of [3,4,5-Trihydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate")
| 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 | 99.22% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.12% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.09% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.71% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 94.14% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.12% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.91% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.57% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.86% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.33% | 92.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.23% | 97.36% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.99% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.51% | 95.89% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 82.25% | 98.21% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.01% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.93% | 90.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.95% | 85.31% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.84% | 94.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.52% | 92.94% |
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.
| Myriophyllum verticillatum |
| PubChem | 162986965 |
| LOTUS | LTS0248659 |
| wikiData | Q105250490 |