(1E,4E,8R)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]cyclonona-1,4-diene-1-carbaldehyde
| Internal ID | 7179a403-a2aa-4d00-825a-752eaf85b76e |
| Taxonomy | Organic oxygen compounds > Organic oxides |
| IUPAC Name | (1E,4E,8R)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]cyclonona-1,4-diene-1-carbaldehyde |
| SMILES (Canonical) | CC1=CCC=C(CC(CC1)C(C)CCC=C(C)C)C=O |
| SMILES (Isomeric) | C/C/1=C\C/C=C(\C[C@@H](CC1)[C@H](C)CCC=C(C)C)/C=O |
| InChI | InChI=1S/C19H30O/c1-15(2)7-5-9-17(4)19-12-11-16(3)8-6-10-18(13-19)14-20/h7-8,10,14,17,19H,5-6,9,11-13H2,1-4H3/b16-8+,18-10+/t17-,19-/m1/s1 |
| InChI Key | BOKICKKUMVGYBA-LBBUYANXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H30O |
| Molecular Weight | 274.40 g/mol |
| Exact Mass | 274.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (1E,4E,8R)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]cyclonona-1,4-diene-1-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/1e4e8r-5-methyl-8-2r-6-methylhept-5-en-2-ylcyclonona-14-diene-1-carbaldehyde.jpg "2D Structure of (1E,4E,8R)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]cyclonona-1,4-diene-1-carbaldehyde")
| 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 | 95.47% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.83% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.24% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.67% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.24% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.96% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.34% | 93.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.29% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.04% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.83% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.83% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.98% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.13% | 95.89% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.60% | 97.47% |
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 | 163028991 |
| LOTUS | LTS0073447 |
| wikiData | Q104939283 |