(E,6R)-2-methyl-6-[(1S)-4-methyl-2-oxocyclohex-3-en-1-yl]hept-2-enal
| Internal ID | be9c5e3d-8691-47ed-898b-e5418dee6b16 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (E,6R)-2-methyl-6-[(1S)-4-methyl-2-oxocyclohex-3-en-1-yl]hept-2-enal |
| SMILES (Canonical) | CC1=CC(=O)C(CC1)C(C)CCC=C(C)C=O |
| SMILES (Isomeric) | CC1=CC(=O)[C@@H](CC1)[C@H](C)CC/C=C(\C)/C=O |
| InChI | InChI=1S/C15H22O2/c1-11-7-8-14(15(17)9-11)13(3)6-4-5-12(2)10-16/h5,9-10,13-14H,4,6-8H2,1-3H3/b12-5+/t13-,14+/m1/s1 |
| InChI Key | CNPHVDOJCOUUFU-KYYFYTAESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (E,6R)-2-methyl-6-[(1S)-4-methyl-2-oxocyclohex-3-en-1-yl]hept-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/e6r-2-methyl-6-1s-4-methyl-2-oxocyclohex-3-en-1-ylhept-2-enal.jpg "2D Structure of (E,6R)-2-methyl-6-[(1S)-4-methyl-2-oxocyclohex-3-en-1-yl]hept-2-enal")
| 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 | 97.62% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.70% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.83% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.33% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.91% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.19% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.88% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.08% | 90.71% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.51% | 99.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.98% | 100.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.49% | 97.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.15% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.77% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.67% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.26% | 96.47% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.10% | 93.40% |
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.
| Pleiotaxis rugosa |
| Pulicaria glutinosa |
| Scorzonera hispanica |
| Senecio smithii |
| PubChem | 162898309 |
| LOTUS | LTS0240318 |
| wikiData | Q104966229 |