(E)-5-[(4R,6S)-6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl]-2-methylpent-2-enoic acid
| Internal ID | 76e7468d-2f34-40ca-b408-05910cb16209 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids |
| IUPAC Name | (E)-5-[(4R,6S)-6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl]-2-methylpent-2-enoic acid |
| SMILES (Canonical) | CC(=C)C1CC=C(C(C1)O)CCC=C(C)C(=O)O |
| SMILES (Isomeric) | CC(=C)[C@@H]1CC=C([C@H](C1)O)CC/C=C(\C)/C(=O)O |
| InChI | InChI=1S/C15H22O3/c1-10(2)13-8-7-12(14(16)9-13)6-4-5-11(3)15(17)18/h5,7,13-14,16H,1,4,6,8-9H2,2-3H3,(H,17,18)/b11-5+/t13-,14+/m1/s1 |
| InChI Key | NPVKVOUUKIDUTL-BKUFQFCKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (E)-5-[(4R,6S)-6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl]-2-methylpent-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e-5-4r6s-6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl-2-methylpent-2-enoic-acid.jpg "2D Structure of (E)-5-[(4R,6S)-6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl]-2-methylpent-2-enoic 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 | 95.85% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.87% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.15% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.08% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.48% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.09% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.99% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.90% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.83% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.35% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.30% | 89.00% |
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.
| Nidorella hottentotica |
| Zanthoxylum schinifolium |
| PubChem | 162924923 |
| LOTUS | LTS0271267 |
| wikiData | Q105145939 |