(2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one
| Internal ID | 0512f94d-53c1-4f2a-bc97-2ae54d1f7262 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Phenylpyridines |
| IUPAC Name | (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one |
| SMILES (Canonical) | CC(C(=CC1(C(OC2=C1C(=O)NC=C2C3=CC=CC=C3)O)C)C)O |
| SMILES (Isomeric) | CC(/C(=C/[C@@]1([C@@H](OC2=C1C(=O)NC=C2C3=CC=CC=C3)O)C)/C)O |
| InChI | InChI=1S/C19H21NO4/c1-11(12(2)21)9-19(3)15-16(24-18(19)23)14(10-20-17(15)22)13-7-5-4-6-8-13/h4-10,12,18,21,23H,1-3H3,(H,20,22)/b11-9+/t12?,18-,19+/m1/s1 |
| InChI Key | UHCZAGPGRURPHV-DOHRTDMTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 78.80 Ų |
| XlogP | 1.80 |
| (2R,3S)-2-hydroxy-3-((E)-3-hydroxy-2-methylbut-1-enyl)-3-methyl-7-phenyl-2,5-dihydrofuro(3,2-c)pyridin-4-one |
| (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one |
| RefChem:126637 |
| CHEBI:225190 |
| (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrouro[3,2-c]pyridin-4-one |
![2D Structure of (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/e48037a0-861a-11ee-a45a-633ba3231e09.jpg "2D Structure of (2R,3S)-2-hydroxy-3-[(E)-3-hydroxy-2-methylbut-1-enyl]-3-methyl-7-phenyl-2,5-dihydrofuro[3,2-c]pyridin-4-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 | 98.28% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.36% | 83.82% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.95% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.41% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.25% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.09% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.78% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.19% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.32% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.99% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.67% | 83.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.86% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.83% | 85.14% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.84% | 83.10% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.33% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 82.11% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.96% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.82% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.79% | 94.45% |
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| PubChem | 139586603 |
| LOTUS | LTS0131555 |
| wikiData | Q77510059 |