[3,4,5-trihydroxy-6-[(7-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | 2752fb66-e33f-4723-bdb9-1f77cd0155dc |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives > Galloyl esters |
| IUPAC Name | [3,4,5-trihydroxy-6-[(7-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1CC(=O)C2=C(C1OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C=C(C=C2)O |
| SMILES (Isomeric) | C1CC(=O)C2=C(C1OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C=C(C=C2)O |
| InChI | InChI=1S/C23H24O12/c24-10-1-2-11-12(7-10)16(4-3-13(11)25)34-23-21(31)20(30)19(29)17(35-23)8-33-22(32)9-5-14(26)18(28)15(27)6-9/h1-2,5-7,16-17,19-21,23-24,26-31H,3-4,8H2 |
| InChI Key | ZOTIGHCAGHZQBQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O12 |
| Molecular Weight | 492.40 g/mol |
| Exact Mass | 492.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of [3,4,5-trihydroxy-6-[(7-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/0dd47a00-841d-11ee-b094-43d472d0330a.jpg "2D Structure of [3,4,5-trihydroxy-6-[(7-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl)oxy]oxan-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 | 99.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.69% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.50% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.93% | 99.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.74% | 95.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.39% | 90.71% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 90.95% | 83.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.54% | 92.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.07% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.02% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.83% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.64% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 88.68% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.87% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.13% | 95.93% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.14% | 85.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.28% | 94.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.76% | 90.24% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.69% | 83.57% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.44% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.98% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.76% | 92.62% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.46% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.30% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.95% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.12% | 95.89% |
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.
| Goniophlebium mengtzeense |
| Juglans sigillata |
| Solidago canadensis |
| PubChem | 163040150 |
| LOTUS | LTS0090301 |
| wikiData | Q105026818 |