[3,4,5-Trihydroxy-6-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]oxan-2-yl]methyl 3-hydroxy-2-methylpropanoate
| Internal ID | 4766e1b1-1613-43ce-b6d9-e55a0fd02c7e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [3,4,5-trihydroxy-6-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]oxan-2-yl]methyl 3-hydroxy-2-methylpropanoate |
| SMILES (Canonical) | CC(CO)C(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C=CCO)OC)O)O)O |
| SMILES (Isomeric) | CC(CO)C(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C=CCO)OC)O)O)O |
| InChI | InChI=1S/C20H28O10/c1-11(9-22)19(26)28-10-15-16(23)17(24)18(25)20(30-15)29-13-6-5-12(4-3-7-21)8-14(13)27-2/h3-6,8,11,15-18,20-25H,7,9-10H2,1-2H3 |
| InChI Key | NUZPXHFCBKVLFX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O10 |
| Molecular Weight | 428.40 g/mol |
| Exact Mass | 428.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]oxan-2-yl]methyl 3-hydroxy-2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/7296a640-86fa-11ee-9b60-53a6fecc7842.jpg "2D Structure of [3,4,5-Trihydroxy-6-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]oxan-2-yl]methyl 3-hydroxy-2-methylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.20% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.96% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.34% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.96% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.59% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.40% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.12% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.10% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.07% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.22% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.80% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.41% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.10% | 95.89% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.85% | 83.82% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 81.60% | 97.88% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.39% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.14% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.87% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.86% | 90.00% |
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.
| Capsicum annuum |
| PubChem | 73880831 |
| LOTUS | LTS0255986 |
| wikiData | Q105186118 |