[(2S)-5-(furan-3-yl)-2-[2-(1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl)ethyl]pentyl] hydrogen sulfate
| Internal ID | db088f94-23b3-4a3b-acc0-52ae5e38e153 |
| Taxonomy | Organic acids and derivatives > Organic sulfuric acids and derivatives > Sulfuric acid esters > Sulfuric acid monoesters |
| IUPAC Name | [(2S)-5-(furan-3-yl)-2-[2-(1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl)ethyl]pentyl] hydrogen sulfate |
| SMILES (Canonical) | CC1CCC2=C(C1(C)CCC(CCCC3=COC=C3)COS(=O)(=O)O)CCCC2(C)C |
| SMILES (Isomeric) | CC1CCC2=C(C1(C)CC[C@H](CCCC3=COC=C3)COS(=O)(=O)O)CCCC2(C)C |
| InChI | InChI=1S/C25H40O5S/c1-19-10-11-22-23(9-6-14-24(22,2)3)25(19,4)15-12-20(18-30-31(26,27)28)7-5-8-21-13-16-29-17-21/h13,16-17,19-20H,5-12,14-15,18H2,1-4H3,(H,26,27,28)/t19?,20-,25?/m0/s1 |
| InChI Key | YGCNNWSWMYDUKD-CMAULLTDSA-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 | 6.40 |
| There are no found synonyms. |
![2D Structure of [(2S)-5-(furan-3-yl)-2-[2-(1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl)ethyl]pentyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/25e4ebb0-85d5-11ee-a0a3-bb2377e09f6a.jpg "2D Structure of [(2S)-5-(furan-3-yl)-2-[2-(1,2,5,5-tetramethyl-2,3,4,6,7,8-hexahydronaphthalen-1-yl)ethyl]pentyl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.02% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.56% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.50% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.17% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.06% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.47% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.22% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.10% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.65% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.63% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.29% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.11% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.54% | 92.51% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.14% | 95.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.10% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.06% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.92% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.38% | 93.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.45% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.07% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 102459840 |
| LOTUS | LTS0111172 |
| wikiData | Q105348000 |