(1Z,3aR,5R,7S,7aS)-1-Ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl 3-methyl-2-butenoate
| Internal ID | 5876d8f3-9127-47cb-8ef7-99abd2a8859e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1Z,3aR,5R,7S,7aS)-1-ethylidene-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] 3-methylbut-2-enoate |
| SMILES (Canonical) | CC=C1C2C(CC(C(=C)C2CC1=O)OC(=O)C=C(C)C)C(C)C |
| SMILES (Isomeric) | C/C=C\1/[C@H]2[C@@H](C[C@H](C(=C)[C@@H]2CC1=O)OC(=O)C=C(C)C)C(C)C |
| InChI | InChI=1S/C20H28O3/c1-7-14-17(21)9-16-13(6)18(23-19(22)8-11(2)3)10-15(12(4)5)20(14)16/h7-8,12,15-16,18,20H,6,9-10H2,1-5H3/b14-7+/t15-,16-,18+,20-/m0/s1 |
| InChI Key | MZPCWAQWDXGSCO-OFLBHVKHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 4.00 |
| (1Z,3aR,5R,7S,7aS)-1-Ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl 3-methyl-2-butenoate |
| 237406-99-4 |
| 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 | 94.53% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.70% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.95% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.51% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.90% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.41% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.29% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.79% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.06% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.46% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.06% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.48% | 97.21% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.29% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.97% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.81% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.74% | 95.89% |
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.
| Tussilago farfara |
| PubChem | 10495648 |
| LOTUS | LTS0176604 |
| wikiData | Q105175932 |