(3E,6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-6-methylpiperazine-2,5-dione
| Internal ID | 67c02401-dbaf-4cbe-bd76-08928c35d773 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (3E,6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-6-methylpiperazine-2,5-dione |
| SMILES (Canonical) | CC1C(=O)NC(=CC2=CC=C(C=C2)OCC=C(C)CCC=C(C)C)C(=O)N1 |
| SMILES (Isomeric) | C[C@H]1C(=O)N/C(=C/C2=CC=C(C=C2)OC/C=C(\C)/CCC=C(C)C)/C(=O)N1 |
| InChI | InChI=1S/C22H28N2O3/c1-15(2)6-5-7-16(3)12-13-27-19-10-8-18(9-11-19)14-20-22(26)23-17(4)21(25)24-20/h6,8-12,14,17H,5,7,13H2,1-4H3,(H,23,26)(H,24,25)/b16-12+,20-14+/t17-/m0/s1 |
| InChI Key | WJYQOEOGXGQMEU-MSODBRDKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28N2O3 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.20999276 g/mol |
| Topological Polar Surface Area (TPSA) | 67.40 Ų |
| XlogP | 4.50 |
| SCHEMBL29576446 |
| CHEBI:224457 |
| (3E,6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-6-methylpiperazine-2,5-dione |
![2D Structure of (3E,6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-6-methylpiperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3e6s-3-4-2e-37-dimethylocta-26-dienoxyphenylmethylidene-6-methylpiperazine-25-dione.jpg "2D Structure of (3E,6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-6-methylpiperazine-2,5-dione")
| 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 | 97.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.47% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.53% | 83.57% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.92% | 90.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 91.72% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.26% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.85% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.40% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.23% | 89.34% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.23% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.56% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.82% | 94.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.07% | 92.88% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.51% | 91.07% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.28% | 92.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.32% | 98.59% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.09% | 97.25% |
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 | 139586562 |
| LOTUS | LTS0125369 |
| wikiData | Q77509011 |