Poronitin B
| Internal ID | 3c658a06-4b53-48c3-9f7c-09919c2bc216 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxamides > Nicotinamides |
| IUPAC Name | (2E,4E,8E)-9-[5-(3-methylbutanoylcarbamoyl)-4-oxo-1H-pyridin-2-yl]nona-2,4,8-trienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24N2O5/c1-14(2)11-18(24)22-20(27)16-13-21-15(12-17(16)23)9-7-5-3-4-6-8-10-19(25)26/h4,6-10,12-14H,3,5,11H2,1-2H3,(H,21,23)(H,25,26)(H,22,24,27)/b6-4+,9-7+,10-8+ |
| InChI Key | IBYSWVIXXYFGCG-FCGWLDPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O5 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.50% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.79% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.73% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.95% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.32% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.28% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.59% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.12% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.95% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.29% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.17% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.27% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.95% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.02% | 89.50% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.93% | 80.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.72% | 91.07% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.90% | 95.71% |
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 | 102294528 |
| LOTUS | LTS0126007 |
| wikiData | Q77373819 |