(2Z,4E)-5-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid
| Internal ID | 42d0bd21-5f4b-4740-9134-e04d82fb81cd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2Z,4E)-5-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid |
| SMILES (Canonical) | CC(=CC(=O)O)C=CC1(C(=C)CC(CC1(C)C)O)O |
| SMILES (Isomeric) | C/C(=C/C(=O)O)/C=C/[C@]1(C(=C)C[C@H](CC1(C)C)O)O |
| InChI | InChI=1S/C15H22O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-7,12,16,19H,2,8-9H2,1,3-4H3,(H,17,18)/b6-5+,10-7-/t12-,15-/m1/s1 |
| InChI Key | AVTDYKVJXAJNCH-FUZQYHGZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.33 g/mol |
| Exact Mass | 266.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (2Z,4E)-5-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6c71c350-85b2-11ee-ad51-93d1144cc537.jpg "2D Structure of (2Z,4E)-5-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.91% | 90.17% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 93.76% | 91.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.44% | 96.09% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 90.63% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 89.29% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.60% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.27% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.56% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.25% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.42% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.56% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.01% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.97% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 14164450 |
| LOTUS | LTS0051494 |
| wikiData | Q104919816 |