1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-
| Internal ID | 52e48777-3beb-40a1-8a6f-e094c1a4fad3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4-(6-methyl-4-oxoheptan-2-yl)cyclohexene-1-carboxylic acid |
| SMILES (Canonical) | CC(C)CC(=O)CC(C)C1CCC(=CC1)C(=O)O |
| SMILES (Isomeric) | CC(C)CC(=O)CC(C)C1CCC(=CC1)C(=O)O |
| InChI | InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18) |
| InChI Key | XPXCWUPURKUWHC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.35 g/mol |
| Exact Mass | 252.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 3.10 |
| Todomatuic acid |
| 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)- |
| DTXSID00939083 |
| XPXCWUPURKUWHC-UHFFFAOYSA-N |
| 4-(1,5-Dimethyl-3-oxohexyl)-1-cyclohexene-1-carboxylic acid # |
| 4-(6-methyl-4-oxoheptan-2-yl)cyclohex-1-ene-1-carboxylic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.21% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.19% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.99% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.63% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.81% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.84% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.08% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.92% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.74% | 94.45% |
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.
| Abies sachalinensis |
| Cedrus libani |
| Cryptomeria japonica |
| PubChem | 28809 |
| LOTUS | LTS0096927 |
| wikiData | Q82915520 |