5-[3-(1-Oxo-3,4-dihydropyrano[3,4-c]pyridin-5-yl)butyl]-3,4-dihydropyrano[3,4-c]pyridin-1-one
| Internal ID | ca9efa01-910d-464c-b34c-557d77c3abb5 |
| Taxonomy | Organoheterocyclic compounds > Pyranopyridines |
| IUPAC Name | 5-[3-(1-oxo-3,4-dihydropyrano[3,4-c]pyridin-5-yl)butyl]-3,4-dihydropyrano[3,4-c]pyridin-1-one |
| SMILES (Canonical) | CC(CCC1=CN=CC2=C1CCOC2=O)C3=C4CCOC(=O)C4=CN=C3 |
| SMILES (Isomeric) | CC(CCC1=CN=CC2=C1CCOC2=O)C3=C4CCOC(=O)C4=CN=C3 |
| InChI | InChI=1S/C20H20N2O4/c1-12(16-9-22-11-18-15(16)5-7-26-20(18)24)2-3-13-8-21-10-17-14(13)4-6-25-19(17)23/h8-12H,2-7H2,1H3 |
| InChI Key | QMWNJTAFPCJRKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20N2O4 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.14230712 g/mol |
| Topological Polar Surface Area (TPSA) | 78.40 Ų |
| XlogP | 2.60 |
| 5,5'-(1-Methyl-1,3-propanediyl)bis[3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one] |
![2D Structure of 5-[3-(1-Oxo-3,4-dihydropyrano[3,4-c]pyridin-5-yl)butyl]-3,4-dihydropyrano[3,4-c]pyridin-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-3-1-oxo-34-dihydropyrano34-cpyridin-5-ylbutyl-34-dihydropyrano34-cpyridin-1-one.jpg "2D Structure of 5-[3-(1-Oxo-3,4-dihydropyrano[3,4-c]pyridin-5-yl)butyl]-3,4-dihydropyrano[3,4-c]pyridin-1-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.76% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.76% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.70% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.03% | 96.77% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.47% | 92.51% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.32% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.77% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.99% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.90% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.74% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.52% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.60% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.19% | 97.25% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.93% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.76% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.80% | 88.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.80% | 96.00% |
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.
| Gentiana olivieri |
| PubChem | 71437678 |
| LOTUS | LTS0170135 |
| wikiData | Q105224207 |