5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid
| Internal ID | d353d80e-916c-4de4-9c22-377016ef0155 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Abscisic acids and derivatives |
| IUPAC Name | 5-[1-hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid |
| SMILES (Canonical) | CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)CO |
| SMILES (Isomeric) | CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)CO |
| InChI | InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19) |
| InChI Key | AVFORCKFTWHFAR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.32 g/mol |
| Exact Mass | 280.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 0.90 |
| 5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid |
| 25841-53-6 |
![2D Structure of 5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5-1-hydroxy-6-hydroxymethyl-26-dimethyl-4-oxo-2-cyclohexen-1-yl-3-methyl-24-pentadienoic-acid.jpg "2D Structure of 5-[1-Hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.84% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.51% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.96% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.98% | 96.09% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 86.77% | 95.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.94% | 98.95% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 84.65% | 100.00% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 84.49% | 91.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.29% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.77% | 95.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.25% | 85.30% |
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.
| Vigna unguiculata |
| Zea mays |
| PubChem | 73152384 |
| LOTUS | LTS0189172 |
| wikiData | Q104919469 |