(3R)-3-hydroxy-5-[(5S)-5-hydroxy-4-methoxy-2,6-dioxo-5-(2-oxopropyl)pyridin-3-yl]-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione
| Internal ID | 6f1e528b-b022-412c-b420-b928767f5e62 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Dihydropyridines |
| IUPAC Name | (3R)-3-hydroxy-5-[(5S)-5-hydroxy-4-methoxy-2,6-dioxo-5-(2-oxopropyl)pyridin-3-yl]-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione |
| SMILES (Canonical) | CC(=O)CC1(C(=C(C(=O)NC1=O)C2=C(C(C(=O)N(C2=O)C)(CC(=O)C)O)OC)OC)O |
| SMILES (Isomeric) | CC(=O)C[C@@]1(C(=C(C(=O)NC1=O)C2=C([C@@](C(=O)N(C2=O)C)(CC(=O)C)O)OC)OC)O |
| InChI | InChI=1S/C19H22N2O10/c1-8(22)6-18(28)12(30-4)10(14(24)20-16(18)26)11-13(31-5)19(29,7-9(2)23)17(27)21(3)15(11)25/h28-29H,6-7H2,1-5H3,(H,20,24,26)/t18-,19+/m0/s1 |
| InChI Key | YELHLHWQVHODND-RBUKOAKNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H22N2O10 |
| Molecular Weight | 438.40 g/mol |
| Exact Mass | 438.12744490 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | -2.70 |
| There are no found synonyms. |
![2D Structure of (3R)-3-hydroxy-5-[(5S)-5-hydroxy-4-methoxy-2,6-dioxo-5-(2-oxopropyl)pyridin-3-yl]-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/92b7c580-8348-11ee-b011-9b6ad024ffa7.jpg "2D Structure of (3R)-3-hydroxy-5-[(5S)-5-hydroxy-4-methoxy-2,6-dioxo-5-(2-oxopropyl)pyridin-3-yl]-4-methoxy-1-methyl-3-(2-oxopropyl)pyridine-2,6-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.04% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.91% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.32% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.14% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.73% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.27% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.80% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.73% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.90% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.10% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.75% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.43% | 86.92% |
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.
| Speranskia tuberculata |
| PubChem | 162909843 |
| LOTUS | LTS0170834 |
| wikiData | Q105347293 |