[(2R,3S,4S,5R,6S)-6-[[(1S,2S,4S,5R,6S,10S)-5,6-dihydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | dbefa5b2-724c-4295-b38e-58ce3f02f205 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[[(1S,2S,4S,5R,6S,10S)-5,6-dihydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H30O14/c1-34-13-8-11(2-4-12(13)27)3-5-15(28)36-9-14-16(29)17(30)18(31)22(37-14)38-23-19-24(33,6-7-35-23)20(32)21-25(19,10-26)39-21/h2-8,14,16-23,26-27,29-33H,9-10H2,1H3/b5-3+/t14-,16-,17+,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1 |
| InChI Key | RIYNJTOEQJKVRB-TUFIRQLLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O14 |
| Molecular Weight | 554.50 g/mol |
| Exact Mass | 554.16355563 g/mol |
| Topological Polar Surface Area (TPSA) | 217.00 Ų |
| XlogP | -2.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-6-[[(1S,2S,4S,5R,6S,10S)-5,6-dihydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/f00e23e0-8651-11ee-8197-bf4884c2c830.jpg "2D Structure of [(2R,3S,4S,5R,6S)-6-[[(1S,2S,4S,5R,6S,10S)-5,6-dihydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)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 | 99.36% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.17% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.87% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.85% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.29% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.10% | 96.61% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.83% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.05% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.74% | 89.62% |
| CHEMBL3194 | P02766 | Transthyretin | 90.12% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.96% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.37% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.41% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.69% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.69% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.75% | 90.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.50% | 96.90% |
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.
| There are no matching plants. |
| PubChem | 102025689 |
| LOTUS | LTS0181320 |
| wikiData | Q105237284 |