N-[3-(3-amino-3-oxopropyl)-3-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-6-methylhepta-2,4-dienamide
| Internal ID | 1edab962-f95f-4ee0-9b8e-7bb506d79993 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | N-[3-(3-amino-3-oxopropyl)-3-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-6-methylhepta-2,4-dienamide |
| SMILES (Canonical) | CC(C)C=CC=CC(=O)NC1=CC(C=CC1=O)(CCC(=O)N)O |
| SMILES (Isomeric) | CC(C)C=CC=CC(=O)NC1=CC(C=CC1=O)(CCC(=O)N)O |
| InChI | InChI=1S/C17H22N2O4/c1-12(2)5-3-4-6-16(22)19-13-11-17(23,9-7-14(13)20)10-8-15(18)21/h3-7,9,11-12,23H,8,10H2,1-2H3,(H2,18,21)(H,19,22) |
| InChI Key | ZQYBDDWUEWCXIM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22N2O4 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.15795719 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of N-[3-(3-amino-3-oxopropyl)-3-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-6-methylhepta-2,4-dienamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-3-3-amino-3-oxopropyl-3-hydroxy-6-oxocyclohexa-14-dien-1-yl-6-methylhepta-24-dienamide.jpg "2D Structure of N-[3-(3-amino-3-oxopropyl)-3-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-6-methylhepta-2,4-dienamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.82% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.98% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.53% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.76% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.40% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.78% | 95.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.45% | 83.10% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 88.90% | 80.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.70% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.37% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.63% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.51% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.04% | 90.17% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.76% | 85.30% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.95% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163082976 |
| LOTUS | LTS0071803 |
| wikiData | Q104202704 |