methyl N-[5-[5-(2,5-dimethylnona-2,4-dienoyl)-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate
| Internal ID | 30d1cbc1-6453-4a12-a60c-d7220b2be0d1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones |
| IUPAC Name | methyl N-[5-[5-(2,5-dimethylnona-2,4-dienoyl)-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate |
| SMILES (Canonical) | CCCCC(=CC=C(C)C(=O)C1=C(C=C(OC1=O)C(C)CCC=CNC(=O)OC)O)C |
| SMILES (Isomeric) | CCCCC(=CC=C(C)C(=O)C1=C(C=C(OC1=O)C(C)CCC=CNC(=O)OC)O)C |
| InChI | InChI=1S/C24H33NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h9,12-15,17,26H,6-8,10-11H2,1-5H3,(H,25,29) |
| InChI Key | SPQDIDVJAZFBRL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H33NO6 |
| Molecular Weight | 431.50 g/mol |
| Exact Mass | 431.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of methyl N-[5-[5-(2,5-dimethylnona-2,4-dienoyl)-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-n-5-5-25-dimethylnona-24-dienoyl-4-hydroxy-6-oxopyran-2-ylhex-1-enylcarbamate.jpg "2D Structure of methyl N-[5-[5-(2,5-dimethylnona-2,4-dienoyl)-4-hydroxy-6-oxopyran-2-yl]hex-1-enyl]carbamate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.16% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.69% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.35% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.16% | 94.73% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 94.03% | 92.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.86% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.78% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.63% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.92% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.01% | 97.21% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.17% | 92.08% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.96% | 91.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.05% | 96.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.85% | 96.90% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.04% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.01% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.83% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.11% | 94.33% |
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.
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| There are no matching plants. |
| PubChem | 163049234 |
| LOTUS | LTS0207102 |
| wikiData | Q105257526 |