3-[4-[1-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enal
| Internal ID | e4882c8e-45ce-4897-b4e5-2b512a826fce |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 3-[4-[1-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enal |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26O10/c1-26-14-7-11(3-2-6-20)4-5-13(14)28-12(8-21)10-27-19-18(25)17(24)16(23)15(9-22)29-19/h2-7,12,15-19,21-25H,8-10H2,1H3 |
| InChI Key | ZWMVLSSANICBCK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O10 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of 3-[4-[1-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/034e8e60-8560-11ee-8b53-ade51126272a.jpg "2D Structure of 3-[4-[1-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxy-3-methoxyphenyl]prop-2-enal")
| 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 98.06% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.34% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.99% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.57% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.56% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.85% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.67% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.47% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.91% | 89.62% |
| CHEMBL3194 | P02766 | Transthyretin | 82.93% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.78% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.70% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.05% | 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.
| Iodes cirrhosa |
| PubChem | 162914274 |
| LOTUS | LTS0027561 |
| wikiData | Q105385049 |