[6-(4-Acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
| Internal ID | 6525e12f-cac0-401e-abc8-69592a0562e8 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate |
| SMILES (Canonical) | CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C=C3)O)OC)O)O)O)OC |
| SMILES (Isomeric) | CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C=C3)O)OC)O)O)O)OC |
| InChI | InChI=1S/C23H26O11/c1-11(24)12-5-7-15(17(8-12)31-3)33-23-21(28)20(27)19(26)18(34-23)10-32-22(29)13-4-6-14(25)16(9-13)30-2/h4-9,18-21,23,25-28H,10H2,1-3H3 |
| InChI Key | BJONPLWCFOWHSD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O11 |
| Molecular Weight | 478.40 g/mol |
| Exact Mass | 478.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of [6-(4-Acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/6-4-acetyl-2-methoxyphenoxy-345-trihydroxyoxan-2-ylmethyl-4-hydroxy-3-methoxybenzoate.jpg "2D Structure of [6-(4-Acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate")
| 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 | 96.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.86% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.28% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.93% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.97% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.85% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.98% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.97% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.93% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.92% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.68% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 85.34% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.78% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.91% | 92.94% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.58% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.41% | 91.19% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.88% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.53% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.08% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.19% | 97.21% |
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.
| Iris domestica |
| PubChem | 85429708 |
| LOTUS | LTS0131198 |
| wikiData | Q104937217 |