[2-[3-(Furan-3-yl)propyl]-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-yl)oct-5-enyl] hydrogen sulfate
| Internal ID | 38440984-919f-4dab-8ec1-dafba1c5ae9c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [2-[3-(furan-3-yl)propyl]-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-yl)oct-5-enyl] hydrogen sulfate |
| SMILES (Canonical) | CC1=CCCC(C1CCC(=CCCC(CCCC2=COC=C2)COS(=O)(=O)O)C)(C)C |
| SMILES (Isomeric) | CC1=CCCC(C1CCC(=CCCC(CCCC2=COC=C2)COS(=O)(=O)O)C)(C)C |
| InChI | InChI=1S/C25H40O5S/c1-20(13-14-24-21(2)9-7-16-25(24,3)4)8-5-10-22(19-30-31(26,27)28)11-6-12-23-15-17-29-18-23/h8-9,15,17-18,22,24H,5-7,10-14,16,19H2,1-4H3,(H,26,27,28) |
| InChI Key | MSQUWENCRGKHFA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O5S |
| Molecular Weight | 452.60 g/mol |
| Exact Mass | 452.25964555 g/mol |
| Topological Polar Surface Area (TPSA) | 85.10 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of [2-[3-(Furan-3-yl)propyl]-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-yl)oct-5-enyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-furan-3-ylpropyl-6-methyl-8-266-trimethylcyclohex-2-en-1-yloct-5-enyl-hydrogen-sulfate.jpg "2D Structure of [2-[3-(Furan-3-yl)propyl]-6-methyl-8-(2,6,6-trimethylcyclohex-2-en-1-yl)oct-5-enyl] hydrogen sulfate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.68% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.67% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.00% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.73% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.66% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.61% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.48% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.39% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.62% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.58% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.41% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.24% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.48% | 90.71% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 82.79% | 92.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.01% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.57% | 99.17% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.37% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.15% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162871270 |
| LOTUS | LTS0083665 |
| wikiData | Q105171352 |