1-[(1S,3S)-2-(3,4-dimethoxyphenyl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one
| Internal ID | f0bb710f-c439-45b1-9854-10d05c5e72e2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 1-[(1S,3S)-2-(3,4-dimethoxyphenyl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2C(C(C2C(=O)N3CCC=CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)N5CCC=CC5=O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2[C@@H](C([C@H]2C(=O)N3CCC=CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)N5CCC=CC5=O)OC |
| InChI | InChI=1S/C33H36N2O9/c1-40-21-13-12-19(16-22(21)41-2)27-29(32(38)34-14-8-6-10-25(34)36)28(30(27)33(39)35-15-9-7-11-26(35)37)20-17-23(42-3)31(44-5)24(18-20)43-4/h6-7,10-13,16-18,27-30H,8-9,14-15H2,1-5H3/t27?,28?,29-,30-/m0/s1 |
| InChI Key | NVDXDIYPYKVHGV-AGTZKDDFSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C33H36N2O9 |
| Molecular Weight | 604.60 g/mol |
| Exact Mass | 604.24208073 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 1-[(1S,3S)-2-(3,4-dimethoxyphenyl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/6a84c4a0-809d-11ee-9861-e9c1e0678e2c.jpg "2D Structure of 1-[(1S,3S)-2-(3,4-dimethoxyphenyl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)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 | 98.38% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.01% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.52% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.34% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.54% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.83% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.19% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.50% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.36% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.39% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.82% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.18% | 94.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.97% | 92.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.93% | 98.95% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.73% | 96.86% |
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 | 56643468 |
| LOTUS | LTS0164887 |
| wikiData | Q105186174 |