7-Methyloctanal
| Internal ID | 99d3c1ee-9ae2-4b2b-8410-f80854890003 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Medium-chain aldehydes |
| IUPAC Name | 7-methyloctanal |
| SMILES (Canonical) | CC(C)CCCCCC=O |
| SMILES (Isomeric) | CC(C)CCCCCC=O |
| InChI | InChI=1S/C9H18O/c1-9(2)7-5-3-4-6-8-10/h8-9H,3-7H2,1-2H3 |
| InChI Key | JRPPVSMCCSLJPL-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C9H18O |
| Molecular Weight | 142.24 g/mol |
| Exact Mass | 142.135765193 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 3.00 |
| 49824-43-3 |
| isononanal |
| Isononan-1-al |
| 35127-50-5 |
| Octanal, 7-methyl- |
| 7-methyl-octanaldehyde |
| EINECS 252-388-8 |
| EINECS 256-496-6 |
| starbld0005539 |
| SCHEMBL1515476 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 93.35% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.48% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.67% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.57% | 93.31% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.40% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.10% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.07% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.83% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.10% | 89.34% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.60% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.16% | 93.56% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 82.78% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.91% | 90.71% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.69% | 87.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.45% | 95.56% |
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.
| Sequoiadendron giganteum |
| PubChem | 169665 |
| LOTUS | LTS0129118 |
| wikiData | Q82936640 |