3,5-dimethoxy-2-(6-oxo-5-pentyl-6H-pyran-3-carbonyl)-benzoic acid
| Internal ID | ae3cf7ed-b909-4695-82f0-6b2840f691f3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Aryl-phenylketones |
| IUPAC Name | 3,5-dimethoxy-2-(6-oxo-5-pentylpyran-3-carbonyl)benzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22O7/c1-4-5-6-7-12-8-13(11-27-20(12)24)18(21)17-15(19(22)23)9-14(25-2)10-16(17)26-3/h8-11H,4-7H2,1-3H3,(H,22,23) |
| InChI Key | KADMDYZCVRINBF-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H22O7 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 3.70 |
| 3,5-dimethoxy-2-(6-oxo-5-pentyl-6h-pyran-3-carbonyl)-benzoic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.76% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.36% | 99.17% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 95.16% | 87.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.55% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.98% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.22% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.60% | 95.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.29% | 94.42% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.57% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.54% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.19% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.10% | 98.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.30% | 93.31% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.79% | 93.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.99% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.61% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.35% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.11% | 85.14% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.39% | 81.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.74% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.43% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 91565207 |
| LOTUS | LTS0123779 |
| wikiData | Q77513680 |