6-(7-hydroxy-5,6-dimethylhept-3-en-2-yl)-5a-methyl-4,5,6,7,8,8a-hexahydro-3aH-cyclopenta[e][1]benzofuran-2-one
| Internal ID | b917e6dd-707f-4728-9f05-b98a18979925 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 6-(7-hydroxy-5,6-dimethylhept-3-en-2-yl)-5a-methyl-4,5,6,7,8,8a-hexahydro-3aH-cyclopenta[e][1]benzofuran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H32O3/c1-13(15(3)12-22)5-6-14(2)17-7-8-18-16-11-20(23)24-19(16)9-10-21(17,18)4/h5-6,11,13-15,17-19,22H,7-10,12H2,1-4H3 |
| InChI Key | KTECGYIRZKGESY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H32O3 |
| Molecular Weight | 332.50 g/mol |
| Exact Mass | 332.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 6-(7-hydroxy-5,6-dimethylhept-3-en-2-yl)-5a-methyl-4,5,6,7,8,8a-hexahydro-3aH-cyclopenta[e][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3a1a1ba0-8560-11ee-b255-9591d1876bb3.jpg "2D Structure of 6-(7-hydroxy-5,6-dimethylhept-3-en-2-yl)-5a-methyl-4,5,6,7,8,8a-hexahydro-3aH-cyclopenta[e][1]benzofuran-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.85% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.71% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.53% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.55% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.22% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.68% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.52% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.43% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.97% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.14% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.20% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.99% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.32% | 99.43% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.12% | 95.93% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 80.46% | 88.81% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.13% | 99.23% |
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.
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| There are no matching plants. |
| PubChem | 78092713 |
| LOTUS | LTS0217696 |
| wikiData | Q104170586 |