[1-[[4a,8,8,8a-Tetramethyl-4-(3-methylbut-2-enoyloxy)-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-yl]oxy]-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-3-yl] 2-methylbut-2-enoate
| Internal ID | 15b9e9f2-4c3d-44e1-8eb0-c6e681ac04c0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | [1-[[4a,8,8,8a-tetramethyl-4-(3-methylbut-2-enoyloxy)-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-yl]oxy]-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-3-yl] 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H62O7/c1-13-24(4)31(42)45-32-25-21-37(9)18-14-16-35(5,6)39(37,11)28(25)34(46-32)47-33-29-26(22-43-33)30(44-27(41)20-23(2)3)38(10)19-15-17-36(7,8)40(29,38)12/h13,20,25-26,28-30,32-34H,14-19,21-22H2,1-12H3 |
| InChI Key | AYSHHKNVWUIGAB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H62O7 |
| Molecular Weight | 654.90 g/mol |
| Exact Mass | 654.44955431 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 10.80 |
| There are no found synonyms. |
![2D Structure of [1-[[4a,8,8,8a-Tetramethyl-4-(3-methylbut-2-enoyloxy)-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-yl]oxy]-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-3-yl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2ed5b550-8623-11ee-96e6-d7648d3b1355.jpg "2D Structure of [1-[[4a,8,8,8a-Tetramethyl-4-(3-methylbut-2-enoyloxy)-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-1-yl]oxy]-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-3-yl] 2-methylbut-2-enoate")
| 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 | 96.45% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.34% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.86% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.41% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.13% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.89% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.65% | 96.61% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.52% | 91.07% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.37% | 98.75% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.55% | 92.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.50% | 94.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.31% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.83% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.15% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.84% | 93.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.82% | 97.47% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.66% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.53% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.40% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.13% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.90% | 95.56% |
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.
| Thapsia villosa |
| PubChem | 162980268 |
| LOTUS | LTS0099386 |
| wikiData | Q104921354 |