8-Acetoxy-4'-methoxypinoresinol 4-glucoside
| Internal ID | e44073a8-7a4d-4746-b7b9-4809e31c32bf |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | [6-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate |
| SMILES (Canonical) | CC(=O)OC12COC(C1COC2C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)C5=CC(=C(C=C5)OC)OC |
| SMILES (Isomeric) | CC(=O)OC12COC(C1COC2C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)C5=CC(=C(C=C5)OC)OC |
| InChI | InChI=1S/C29H36O13/c1-14(31)42-29-13-39-26(15-5-7-18(35-2)20(9-15)36-3)17(29)12-38-27(29)16-6-8-19(21(10-16)37-4)40-28-25(34)24(33)23(32)22(11-30)41-28/h5-10,17,22-28,30,32-34H,11-13H2,1-4H3 |
| InChI Key | ZKCRENDTQNGLGO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O13 |
| Molecular Weight | 592.60 g/mol |
| Exact Mass | 592.21559120 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 0.30 |
| CHEBI:167988 |
| [6-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-yl] acetate |
| 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 | 99.65% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.48% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.72% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.49% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.28% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.51% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.51% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.99% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.88% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.66% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.49% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.02% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.02% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 83.13% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.11% | 95.89% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.83% | 85.49% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.31% | 89.44% |
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.
| Olea europaea |
| Olea europaea subsp. cuspidata |
| PubChem | 73830447 |
| LOTUS | LTS0128403 |
| wikiData | Q105378375 |