9,10-Dehydrofusaric acid methyl ester
| Internal ID | e2fd2aa9-fc30-4e5a-83b5-eeedb3f1992d |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridine-2-carboxylic acids > 5-alkyl-2-carboxypyrimidines |
| IUPAC Name | methyl 5-but-3-enylpyridine-2-carboxylate |
| SMILES (Canonical) | COC(=O)C1=NC=C(C=C1)CCC=C |
| SMILES (Isomeric) | COC(=O)C1=NC=C(C=C1)CCC=C |
| InChI | InChI=1S/C11H13NO2/c1-3-4-5-9-6-7-10(12-8-9)11(13)14-2/h3,6-8H,1,4-5H2,2H3 |
| InChI Key | LYCDOHVYYYUHNB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.23 g/mol |
| Exact Mass | 191.094628657 g/mol |
| Topological Polar Surface Area (TPSA) | 39.20 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 96.96% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.64% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.45% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.72% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.21% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.77% | 92.51% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.58% | 89.34% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.51% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.23% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.89% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.28% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.92% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.91% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.20% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.72% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.46% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.46% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.09% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 86006711 |
| LOTUS | LTS0202050 |
| wikiData | Q104171445 |