Cigatin A
| Internal ID | 723204a0-4be7-4c9c-b731-bac38e59e7cc |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 2-pyridin-3-yloxybenzene-1,4-diol |
| SMILES (Canonical) | C1=CC(=CN=C1)OC2=C(C=CC(=C2)O)O |
| SMILES (Isomeric) | C1=CC(=CN=C1)OC2=C(C=CC(=C2)O)O |
| InChI | InChI=1S/C11H9NO3/c13-8-3-4-10(14)11(6-8)15-9-2-1-5-12-7-9/h1-7,13-14H |
| InChI Key | BEQVBNJMLWADNP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.19 g/mol |
| Exact Mass | 203.058243149 g/mol |
| Topological Polar Surface Area (TPSA) | 62.60 Ų |
| XlogP | 1.70 |
| 2-pyridin-3-yloxybenzene-1,4-diol |
| 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 |
|---|---|---|---|---|
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.40% | 99.15% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.47% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.61% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.35% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.75% | 90.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.66% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.45% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.82% | 86.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.44% | 93.10% |
| CHEMBL3194 | P02766 | Transthyretin | 86.48% | 90.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.38% | 96.09% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.54% | 97.53% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.17% | 96.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.07% | 97.36% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.84% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.65% | 99.17% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 83.44% | 91.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.77% | 94.62% |
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.
| Nicotiana tabacum |
| PubChem | 10703319 |
| LOTUS | LTS0227050 |
| wikiData | Q104933399 |