[5-Methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] 3,5-dimethoxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
| Internal ID | df8d7ff1-6210-46dc-bc7f-6d4a3a6cc882 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [5-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] 3,5-dimethoxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H46O21/c1-12-4-5-14(51-33-28(44)25(41)22(38)19(10-36)53-33)15(6-12)50-31(46)13-7-16(47-2)30(17(8-13)48-3)55-34-29(45)26(42)23(39)20(54-34)11-49-32-27(43)24(40)21(37)18(9-35)52-32/h4-8,18-29,32-45H,9-11H2,1-3H3 |
| InChI Key | NXZZLXODJQUZKD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H46O21 |
| Molecular Weight | 790.70 g/mol |
| Exact Mass | 790.25315847 g/mol |
| Topological Polar Surface Area (TPSA) | 323.00 Ų |
| XlogP | -2.80 |
| There are no found synonyms. |
![2D Structure of [5-Methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] 3,5-dimethoxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/ea875070-8299-11ee-ae60-cbfcf38fa769.jpg "2D Structure of [5-Methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] 3,5-dimethoxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate")
| 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 | 97.41% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.19% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.83% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.24% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.10% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.63% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.82% | 86.33% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.53% | 81.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.32% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.45% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.39% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.23% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.34% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.21% | 93.18% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.96% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.66% | 95.50% |
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.
| Curculigo orchioides |
| PubChem | 162960447 |
| LOTUS | LTS0222814 |
| wikiData | Q105187404 |