(3aR,5S,6aR)-5,6a-diethyl-5-[(1E,4R,5E)-4-ethyl-2-methylocta-1,5-dienyl]-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
| Internal ID | 6608811f-2cb2-4d52-8945-2833a199e007 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (3aR,5S,6aR)-5,6a-diethyl-5-[(1E,4R,5E)-4-ethyl-2-methylocta-1,5-dienyl]-3a,6-dihydro-3H-furo[3,2-b]furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H34O3/c1-6-10-11-17(7-2)12-16(5)14-20(8-3)15-21(9-4)18(23-20)13-19(22)24-21/h10-11,14,17-18H,6-9,12-13,15H2,1-5H3/b11-10+,16-14+/t17-,18+,20+,21+/m0/s1 |
| InChI Key | UXORUSKBVACZHJ-FKYOIFAGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H34O3 |
| Molecular Weight | 334.50 g/mol |
| Exact Mass | 334.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (3aR,5S,6aR)-5,6a-diethyl-5-[(1E,4R,5E)-4-ethyl-2-methylocta-1,5-dienyl]-3a,6-dihydro-3H-furo[3,2-b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7ea72300-8655-11ee-aefa-253148d18023.jpg "2D Structure of (3aR,5S,6aR)-5,6a-diethyl-5-[(1E,4R,5E)-4-ethyl-2-methylocta-1,5-dienyl]-3a,6-dihydro-3H-furo[3,2-b]furan-2-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.90% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.15% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.99% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.97% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.43% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.28% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.60% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.11% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.81% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.39% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.86% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.22% | 95.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.88% | 98.03% |
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 | 129861590 |
| LOTUS | LTS0044694 |
| wikiData | Q105280952 |