1-O-[3-(butan-2-yldisulfanyl)prop-2-enyl] 3-O-tert-butyl propanedioate
| Internal ID | 26ac389d-7c47-4c53-b284-fcd3993b2e3f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | 1-O-[3-(butan-2-yldisulfanyl)prop-2-enyl] 3-O-tert-butyl propanedioate |
| SMILES (Canonical) | CCC(C)SSC=CCOC(=O)CC(=O)OC(C)(C)C |
| SMILES (Isomeric) | CCC(C)SSC=CCOC(=O)CC(=O)OC(C)(C)C |
| InChI | InChI=1S/C14H24O4S2/c1-6-11(2)20-19-9-7-8-17-12(15)10-13(16)18-14(3,4)5/h7,9,11H,6,8,10H2,1-5H3 |
| InChI Key | HPCAZZNSODRLCQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H24O4S2 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.11160159 g/mol |
| Topological Polar Surface Area (TPSA) | 103.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 1-O-[3-(butan-2-yldisulfanyl)prop-2-enyl] 3-O-tert-butyl propanedioate](https://plantaedb.com/storage/docs/compounds/2023/11/1-o-3-butan-2-yldisulfanylprop-2-enyl-3-o-tert-butyl-propanedioate.jpg "2D Structure of 1-O-[3-(butan-2-yldisulfanyl)prop-2-enyl] 3-O-tert-butyl propanedioate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.88% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.62% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.32% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.39% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.49% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.36% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.15% | 93.56% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.87% | 82.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.11% | 97.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.96% | 97.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.15% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.11% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.71% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.40% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.51% | 98.75% |
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.
| Ferula persica |
| PubChem | 73064917 |
| LOTUS | LTS0166651 |
| wikiData | Q105031629 |