5a-Methyl-6-(6-methylhept-5-en-2-yl)-1,3a,4,5,6,7,8a,8b-octahydrocyclopenta[e][1]benzofuran-2,8-dione
| Internal ID | 412f1797-6424-420b-9d87-64ba819687fd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 5a-methyl-6-(6-methylhept-5-en-2-yl)-1,3a,4,5,6,7,8a,8b-octahydrocyclopenta[e][1]benzofuran-2,8-dione |
| SMILES (Canonical) | CC(CCC=C(C)C)C1CC(=O)C2C1(CCC3C2CC(=O)O3)C |
| SMILES (Isomeric) | CC(CCC=C(C)C)C1CC(=O)C2C1(CCC3C2CC(=O)O3)C |
| InChI | InChI=1S/C20H30O3/c1-12(2)6-5-7-13(3)15-11-16(21)19-14-10-18(22)23-17(14)8-9-20(15,19)4/h6,13-15,17,19H,5,7-11H2,1-4H3 |
| InChI Key | QRUFXMACQLIXOI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 5a-Methyl-6-(6-methylhept-5-en-2-yl)-1,3a,4,5,6,7,8a,8b-octahydrocyclopenta[e][1]benzofuran-2,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a9f39900-841f-11ee-a256-812d8a445754.jpg "2D Structure of 5a-Methyl-6-(6-methylhept-5-en-2-yl)-1,3a,4,5,6,7,8a,8b-octahydrocyclopenta[e][1]benzofuran-2,8-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.98% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.22% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.86% | 93.56% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.90% | 95.92% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.85% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.80% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.42% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.38% | 98.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.83% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.64% | 99.23% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.59% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.48% | 89.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.45% | 97.05% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.12% | 98.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.75% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.64% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.44% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.36% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.32% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.01% | 89.34% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.69% | 93.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.38% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.76% | 100.00% |
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 | 85436289 |
| LOTUS | LTS0071699 |
| wikiData | Q105226642 |