3-[3-[3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-methoxyphenyl]prop-2-enoic acid
| Internal ID | 789a8d0c-dd1f-47a3-9788-2db9458ce2e4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 3-[3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-methoxyphenyl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)20)6-11(7-10)25-17-15(22)14(21)16(24-2)12(8-18)26-17/h3-7,12,14-18,21-22H,8H2,1-2H3,(H,19,20) |
| InChI Key | ZVVSZNWJZQTVKI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O9 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 3-[3-[3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-methoxyphenyl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-34-dihydroxy-6-hydroxymethyl-5-methoxyoxan-2-yloxy-5-methoxyphenylprop-2-enoic-acid.jpg "2D Structure of 3-[3-[3,4-Dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-methoxyphenyl]prop-2-enoic acid")
| 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 | 97.13% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.67% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.64% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.48% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.64% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.81% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.03% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.72% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.75% | 92.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.76% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.18% | 85.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.83% | 97.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.70% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.15% | 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.
| There are no matching plants. |
| PubChem | 162913388 |
| LOTUS | LTS0049588 |
| wikiData | Q105384698 |