[(2R,3S,4S,5R,6S)-6-[(4,8-dihydroxy-1-naphthyl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 4-hydroxy-3,5-dimethoxy-benzoate
| Internal ID | 8f2165fd-a9ec-4b55-8336-0c4e0a29bf5d |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-(4,8-dihydroxynaphthalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O12/c1-33-16-8-11(9-17(34-2)20(16)28)24(32)35-10-18-21(29)22(30)23(31)25(37-18)36-15-7-6-13(26)12-4-3-5-14(27)19(12)15/h3-9,18,21-23,25-31H,10H2,1-2H3/t18-,21-,22+,23-,25-/m1/s1 |
| InChI Key | KHPYMFPRCUSNFO-WVXUANQFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H26O12 |
| Molecular Weight | 518.50 g/mol |
| Exact Mass | 518.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 1.60 |
| [(2R,3S,4S,5R,6S)-6-[(4,8-dihydroxy-1-naphthyl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 4-hydroxy-3,5-dimethoxy-benzoate |
| 1,4,8-Trihydroxynaphthalene 1-O-.beta.-D-[6'-O-(4''-hydroxy-3'',5''-dimethoxybenzoyl)]glucopyranoside |
![2D Structure of [(2R,3S,4S,5R,6S)-6-[(4,8-dihydroxy-1-naphthyl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 4-hydroxy-3,5-dimethoxy-benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/095be3c0-865d-11ee-ba2d-ddab9191c8c6.jpg "2D Structure of [(2R,3S,4S,5R,6S)-6-[(4,8-dihydroxy-1-naphthyl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 4-hydroxy-3,5-dimethoxy-benzoate")
| 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 | 98.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.34% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.69% | 91.49% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 92.92% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.85% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.71% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.53% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.33% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.86% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.95% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.45% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.06% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.96% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.59% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.46% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.05% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 81.58% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.49% | 99.23% |
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.
| Juglans mandshurica |
| PubChem | 477405 |
| LOTUS | LTS0051877 |
| wikiData | Q105141283 |