2-[5-(2-Hydroxy-2,6,6-trimethylcyclohexyl)-3-methylpent-2-enyl]benzene-1,4-diol
| Internal ID | 075ce520-15ab-4668-a3bf-5634fde5063b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[5-(2-hydroxy-2,6,6-trimethylcyclohexyl)-3-methylpent-2-enyl]benzene-1,4-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1)O)O)CCC2C(CCCC2(C)O)(C)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1)O)O)CCC2C(CCCC2(C)O)(C)C |
| InChI | InChI=1S/C21H32O3/c1-15(6-8-16-14-17(22)9-10-18(16)23)7-11-19-20(2,3)12-5-13-21(19,4)24/h6,9-10,14,19,22-24H,5,7-8,11-13H2,1-4H3 |
| InChI Key | ZQNAOKGEDATSGD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 2-[5-(2-Hydroxy-2,6,6-trimethylcyclohexyl)-3-methylpent-2-enyl]benzene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-5-2-hydroxy-266-trimethylcyclohexyl-3-methylpent-2-enylbenzene-14-diol.jpg "2D Structure of 2-[5-(2-Hydroxy-2,6,6-trimethylcyclohexyl)-3-methylpent-2-enyl]benzene-1,4-diol")
| 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 | 99.59% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.53% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.24% | 96.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.40% | 93.10% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.28% | 94.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.85% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.60% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.28% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.62% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.18% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.53% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.27% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.14% | 99.15% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.27% | 89.62% |
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.
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| There are no matching plants. |
| PubChem | 72825163 |
| LOTUS | LTS0204755 |
| wikiData | Q105381555 |