Mycalenitrile 7
| Internal ID | fa8beb12-663c-484f-b28c-c25310d3b1d7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Aryl-aldehydes |
| IUPAC Name | (6Z,9Z)-22-(5-formyl-1H-pyrrol-2-yl)docosa-6,9-dienenitrile |
| SMILES (Canonical) | C1=C(NC(=C1)C=O)CCCCCCCCCCCCC=CCC=CCCCCC#N |
| SMILES (Isomeric) | C1=C(NC(=C1)C=O)CCCCCCCCCCCC/C=C\C/C=C\CCCCC#N |
| InChI | InChI=1S/C27H42N2O/c28-24-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-26-22-23-27(25-30)29-26/h4,6,10,12,22-23,25,29H,1-3,5,7-9,11,13-21H2/b6-4-,12-10- |
| InChI Key | KRMYZGQJGRVDGO-OHPMOLHNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H42N2O |
| Molecular Weight | 410.60 g/mol |
| Exact Mass | 410.329713967 g/mol |
| Topological Polar Surface Area (TPSA) | 56.60 Ų |
| XlogP | 8.80 |
| RefChem:160243 |
| (6Z,9Z)-22-(5-formyl-1H-pyrrol-2-yl)docosa-6,9-dienenitrile |
| CHEMBL1080139 |
| BDBM50481874 |
| 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 | 94.00% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.30% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.37% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.24% | 94.80% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.00% | 86.92% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 89.17% | 97.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.36% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.08% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.57% | 98.75% |
| CHEMBL3553 | P29597 | Tyrosine-protein kinase TYK2 | 83.68% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.48% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.28% | 85.30% |
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 | 44604736 |
| LOTUS | LTS0074817 |
| wikiData | Q105145126 |