[(2R,3S,4R,5R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
| Internal ID | d10a6845-c735-45b1-a51b-a6008fcda9df |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [(2R,3S,4R,5R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H40O12/c1-41-26-14-10-24(20-28(26)43-3)13-17-32(38)48-35-30(22-46-31(37)16-12-23-8-6-5-7-9-23)47-36(34(40)33(35)39)45-19-18-25-11-15-27(42-2)29(21-25)44-4/h5-17,20-21,30,33-36,39-40H,18-19,22H2,1-4H3/b16-12+,17-13+/t30-,33-,34-,35-,36?/m1/s1 |
| InChI Key | PKXDYFXATVPUOF-GIEJYVEBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H40O12 |
| Molecular Weight | 664.70 g/mol |
| Exact Mass | 664.25197671 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/21d53680-881a-11ee-9906-af7d4fc40a46.jpg "2D Structure of [(2R,3S,4R,5R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxyoxan-2-yl]methyl (E)-3-phenylprop-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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.75% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.33% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.42% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.56% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.11% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.05% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.23% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.19% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.38% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.22% | 95.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.90% | 92.98% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.43% | 96.95% |
| CHEMBL5028 | O14672 | ADAM10 | 85.64% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.00% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.29% | 93.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.95% | 92.62% |
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.
| Psidium guajava |
| PubChem | 162984038 |
| LOTUS | LTS0111924 |
| wikiData | Q105210736 |