2-[4-(3-Pent-4-enyloxiran-2-yl)but-2-enyl]-3-[(3-pentyloxiran-2-yl)methyl]oxirane
| Internal ID | 33b7ccab-cbc4-4a08-86af-3029cf7c0c5c |
| Taxonomy | Organoheterocyclic compounds > Epoxides |
| IUPAC Name | 2-[4-(3-pent-4-enyloxiran-2-yl)but-2-enyl]-3-[(3-pentyloxiran-2-yl)methyl]oxirane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H34O3/c1-3-5-7-11-16-17(22-16)13-9-10-14-19-21(24-19)15-20-18(23-20)12-8-6-4-2/h3,9-10,16-21H,1,4-8,11-15H2,2H3 |
| InChI Key | XWQGXSOXZHQUNY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O3 |
| Molecular Weight | 334.50 g/mol |
| Exact Mass | 334.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 37.60 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 2-[4-(3-Pent-4-enyloxiran-2-yl)but-2-enyl]-3-[(3-pentyloxiran-2-yl)methyl]oxirane](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-3-pent-4-enyloxiran-2-ylbut-2-enyl-3-3-pentyloxiran-2-ylmethyloxirane.jpg "2D Structure of 2-[4-(3-Pent-4-enyloxiran-2-yl)but-2-enyl]-3-[(3-pentyloxiran-2-yl)methyl]oxirane")
| 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 | 96.91% | 97.25% |
| CHEMBL240 | Q12809 | HERG | 95.57% | 89.76% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.67% | 97.79% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.48% | 92.08% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 90.16% | 92.38% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.89% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.33% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.20% | 94.73% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 87.10% | 97.34% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.25% | 90.24% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.11% | 91.81% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.85% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.70% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.85% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.84% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.78% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.23% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.67% | 92.86% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 80.48% | 85.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.12% | 98.95% |
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.
| There are no matching plants. |
| PubChem | 72744319 |
| LOTUS | LTS0199585 |
| wikiData | Q105343710 |