Cigatin B
| Internal ID | 286c3f56-6291-4394-ad62-35cbc588cd93 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 2-(4-methylpyridin-3-yl)oxybenzene-1,4-diol |
| SMILES (Canonical) | CC1=C(C=NC=C1)OC2=C(C=CC(=C2)O)O |
| SMILES (Isomeric) | CC1=C(C=NC=C1)OC2=C(C=CC(=C2)O)O |
| InChI | InChI=1S/C12H11NO3/c1-8-4-5-13-7-12(8)16-11-6-9(14)2-3-10(11)15/h2-7,14-15H,1H3 |
| InChI Key | NJPWIKVAYDDPNC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.22 g/mol |
| Exact Mass | 217.07389321 g/mol |
| Topological Polar Surface Area (TPSA) | 62.60 Ų |
| XlogP | 2.00 |
| 2-(4-methylpyridin-3-yl)oxybenzene-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 | 95.72% | 99.15% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.83% | 93.10% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.58% | 91.49% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 93.33% | 93.65% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 91.17% | 95.70% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.13% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.74% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.84% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.72% | 97.36% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.53% | 91.11% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 85.02% | 99.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.28% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.25% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.08% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 81.24% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.74% | 99.17% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.26% | 91.79% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.21% | 89.62% |
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 | 10608794 |
| LOTUS | LTS0084214 |
| wikiData | Q105180257 |