[6-[(4,8-dihydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | 8e00d1b6-f613-47be-aade-cb4a50834c4f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [6-[(4,8-dihydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1CC(=O)C2=C(C=CC(=C2C1O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1CC(=O)C2=C(C=CC(=C2C1O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O |
| InChI | InChI=1S/C23H24O13/c24-9-1-2-11(26)17-14(4-3-10(25)16(9)17)35-23-21(32)20(31)19(30)15(36-23)7-34-22(33)8-5-12(27)18(29)13(28)6-8/h3-6,11,15,19-21,23,25-32H,1-2,7H2 |
| InChI Key | GFYUFBXKWIZMRP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O13 |
| Molecular Weight | 508.40 g/mol |
| Exact Mass | 508.12169082 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of [6-[(4,8-dihydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/4af5c390-8567-11ee-837e-01a390ff5190.jpg "2D Structure of [6-[(4,8-dihydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate")
| 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 | 99.38% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.77% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.98% | 83.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.18% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.93% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.68% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.64% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.42% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 89.39% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.46% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.21% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.14% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.77% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.34% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.93% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.35% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.28% | 92.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.78% | 92.62% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.48% | 95.78% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.47% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.20% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.04% | 96.21% |
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.
| Juglans mandshurica |
| PubChem | 85116707 |
| LOTUS | LTS0197278 |
| wikiData | Q105007901 |