(3aR,5R,6aR)-5,6a-diethyl-5-[(E,2S,4R)-4-ethyl-2-methyloct-5-enyl]-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
| Internal ID | aed3afeb-cac1-4ac6-bbed-79f61d72c91a |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (3aR,5R,6aR)-5,6a-diethyl-5-[(E,2S,4R)-4-ethyl-2-methyloct-5-enyl]-3a,6-dihydro-3H-furo[3,2-b]furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H36O3/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/h10-11,16-18H,6-9,12-15H2,1-5H3/b11-10+/t16-,17-,18+,20+,21+/m0/s1 |
| InChI Key | KYRQYILNTDFRHT-VGIZFMKGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H36O3 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (3aR,5R,6aR)-5,6a-diethyl-5-[(E,2S,4R)-4-ethyl-2-methyloct-5-enyl]-3a,6-dihydro-3H-furo[3,2-b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/24f428b0-85a6-11ee-814d-77393ad9f1b5.jpg "2D Structure of (3aR,5R,6aR)-5,6a-diethyl-5-[(E,2S,4R)-4-ethyl-2-methyloct-5-enyl]-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 | 96.79% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.55% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.08% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.78% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.92% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.82% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.05% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.86% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.11% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.10% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.06% | 95.93% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.91% | 98.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.66% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.94% | 85.11% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.20% | 92.88% |
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 | 49783351 |
| LOTUS | LTS0167284 |
| wikiData | Q105147894 |