2-hydroxy-3-[4-methyl-6-(1,2,6-trimethylcyclohex-2-en-1-yl)hex-3-enyl]-2H-furan-5-one
| Internal ID | 56cb3587-b2b7-48b2-b8a9-7f2d794787fe |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Retinoids |
| IUPAC Name | 2-hydroxy-3-[4-methyl-6-(1,2,6-trimethylcyclohex-2-en-1-yl)hex-3-enyl]-2H-furan-5-one |
| SMILES (Canonical) | CC1CCC=C(C1(C)CCC(=CCCC2=CC(=O)OC2O)C)C |
| SMILES (Isomeric) | CC1CCC=C(C1(C)CCC(=CCCC2=CC(=O)OC2O)C)C |
| InChI | InChI=1S/C20H30O3/c1-14(7-5-10-17-13-18(21)23-19(17)22)11-12-20(4)15(2)8-6-9-16(20)3/h7-8,13,16,19,22H,5-6,9-12H2,1-4H3 |
| InChI Key | BYJYGZSPMBBOKE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-3-[4-methyl-6-(1,2,6-trimethylcyclohex-2-en-1-yl)hex-3-enyl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-3-4-methyl-6-126-trimethylcyclohex-2-en-1-ylhex-3-enyl-2h-furan-5-one.jpg "2D Structure of 2-hydroxy-3-[4-methyl-6-(1,2,6-trimethylcyclohex-2-en-1-yl)hex-3-enyl]-2H-furan-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.83% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.28% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.03% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 90.26% | 86.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.39% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.34% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.23% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.03% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.33% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.66% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.54% | 99.23% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 83.15% | 95.92% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.65% | 93.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.63% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.09% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73238351 |
| LOTUS | LTS0073606 |
| wikiData | Q104949434 |