Isononanoic acid
| Internal ID | 7fb75d04-8f93-4c67-8472-333e546ef82c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 7-methyloctanoic acid |
| SMILES (Canonical) | CC(C)CCCCCC(=O)O |
| SMILES (Isomeric) | CC(C)CCCCCC(=O)O |
| InChI | InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11) |
| InChI Key | XZOYHFBNQHPJRQ-UHFFFAOYSA-N |
| Popularity | 25 references in papers |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 g/mol |
| Exact Mass | 158.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.30 |
| ISONONANOIC ACID |
| 693-19-6 |
| 26896-18-4 |
| Octanoic acid, 7-methyl- |
| Isononanoicacid |
| 7-methyl-octanoic acid |
| 7-methyl caprylic acid |
| M3MIU88L6U |
| 7-Methyloctanoicacid |
| Isononansaure |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.73% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.84% | 99.17% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 91.78% | 92.26% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.29% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.86% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.26% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.48% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.96% | 90.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.53% | 93.31% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.42% | 97.29% |
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.
| Solanum pennellii |
| PubChem | 33635 |
| LOTUS | LTS0138539 |
| wikiData | Q27117040 |