1-[2-(3,4-Dimethoxyphenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one
| Internal ID | 5510a983-7d29-4616-8c11-4a36b19ea421 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 1-[2-(3,4-dimethoxyphenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2C(C(C2C(=O)N3CCC=CC3=O)C4=CC5=C(C(=C4)OC)OCO5)C(=O)N6CCC=CC6=O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2C(C(C2C(=O)N3CCC=CC3=O)C4=CC5=C(C(=C4)OC)OCO5)C(=O)N6CCC=CC6=O)OC |
| InChI | InChI=1S/C32H32N2O9/c1-39-20-11-10-18(14-21(20)40-2)26-28(31(37)33-12-6-4-8-24(33)35)27(29(26)32(38)34-13-7-5-9-25(34)36)19-15-22(41-3)30-23(16-19)42-17-43-30/h4-5,8-11,14-16,26-29H,6-7,12-13,17H2,1-3H3 |
| InChI Key | RIXNFSOJXQSBJT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H32N2O9 |
| Molecular Weight | 588.60 g/mol |
| Exact Mass | 588.21078060 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 1-[2-(3,4-Dimethoxyphenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1236aa70-85c3-11ee-8a25-d309a52d0071.jpg "2D Structure of 1-[2-(3,4-Dimethoxyphenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one")
| 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 | 98.25% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.97% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.73% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.33% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.28% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.70% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.45% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.71% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.66% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.41% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.76% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.59% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.99% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.59% | 94.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.34% | 96.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.33% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.33% | 97.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.07% | 82.67% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.29% | 92.38% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.39% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.56% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.35% | 97.14% |
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.
| Piper arborescens |
| PubChem | 163051424 |
| LOTUS | LTS0200477 |
| wikiData | Q105237243 |