3-[[4-[2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]phenyl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
| Internal ID | ac1edec0-2ade-4b5d-aed0-2faf7d26c910 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 3-[[4-[2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]phenyl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C(C(CO)O)OC2=CC=C(C=C2)CC3C(=O)N4CCCC4C(=O)N3 |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C(C(CO)O)OC2=CC=C(C=C2)CC3C(=O)N4CCCC4C(=O)N3 |
| InChI | InChI=1S/C25H30N2O8/c1-33-20-11-15(12-21(34-2)22(20)30)23(19(29)13-28)35-16-7-5-14(6-8-16)10-17-25(32)27-9-3-4-18(27)24(31)26-17/h5-8,11-12,17-19,23,28-30H,3-4,9-10,13H2,1-2H3,(H,26,31) |
| InChI Key | KEHHDVAPJYKAGP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30N2O8 |
| Molecular Weight | 486.50 g/mol |
| Exact Mass | 486.20021592 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 3-[[4-[2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]phenyl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/8c588660-849d-11ee-8e34-e7ccadc948eb.jpg "2D Structure of 3-[[4-[2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propoxy]phenyl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione")
| 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 | 99.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.29% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.85% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.99% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.84% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 96.71% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.17% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.88% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 92.81% | 99.18% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 92.13% | 82.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.15% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.98% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.67% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.62% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.71% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.52% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.45% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.41% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.10% | 93.40% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.10% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.69% | 97.05% |
| CHEMBL204 | P00734 | Thrombin | 83.52% | 96.01% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.95% | 97.25% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.92% | 92.68% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.69% | 92.88% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.61% | 92.97% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.18% | 91.96% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.85% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.48% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.15% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.12% | 92.94% |
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.
| Eleutherococcus senticosus |
| PubChem | 162970811 |
| LOTUS | LTS0221618 |
| wikiData | Q105139967 |