[3,4,5-Trihydroxy-6-[4-[4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butyl]-2-methoxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
| Internal ID | 23f2b264-5d6b-4c7c-a309-dd3e5917fd6e |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | [3,4,5-trihydroxy-6-[4-[4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butyl]-2-methoxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H42O14/c1-43-26-12-18(4-7-23(26)37)10-21(15-35)22(16-36)11-19-5-9-25(28(13-19)45-3)47-34-32(41)31(40)30(39)29(48-34)17-46-33(42)20-6-8-24(38)27(14-20)44-2/h4-9,12-14,21-22,29-32,34-41H,10-11,15-17H2,1-3H3 |
| InChI Key | NKHSFGPHYNZXLV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H42O14 |
| Molecular Weight | 674.70 g/mol |
| Exact Mass | 674.25745601 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-[4-[4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butyl]-2-methoxyphenoxy]oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/be5b07c0-843b-11ee-8dd5-0d3e72429389.jpg "2D Structure of [3,4,5-Trihydroxy-6-[4-[4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butyl]-2-methoxyphenoxy]oxan-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 | 97.53% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.89% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.39% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.13% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.64% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.05% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.20% | 91.49% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.19% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.51% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.97% | 94.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.52% | 96.90% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.50% | 92.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.27% | 95.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.95% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.59% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.57% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.53% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.20% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.10% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.01% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.36% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.91% | 96.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.26% | 85.31% |
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.
| Glehnia littoralis |
| PubChem | 85091290 |
| LOTUS | LTS0078571 |
| wikiData | Q105180598 |