6,9a-dimethyl-6-(4-methylpent-3-enyl)-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one
| Internal ID | bb993a10-beaf-4aa5-b91d-11b9aac7e907 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 6,9a-dimethyl-6-(4-methylpent-3-enyl)-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one |
| SMILES (Canonical) | CC(=CCCC1(CCCC2(C1CC=C3C2COC3=O)C)C)C |
| SMILES (Isomeric) | CC(=CCCC1(CCCC2(C1CC=C3C2COC3=O)C)C)C |
| InChI | InChI=1S/C20H30O2/c1-14(2)7-5-10-19(3)11-6-12-20(4)16-13-22-18(21)15(16)8-9-17(19)20/h7-8,16-17H,5-6,9-13H2,1-4H3 |
| InChI Key | LVGAEQWFJYHNAW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 6,9a-dimethyl-6-(4-methylpent-3-enyl)-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/69a-dimethyl-6-4-methylpent-3-enyl-55a7899b-hexahydro-1h-benzoe2benzofuran-3-one.jpg "2D Structure of 6,9a-dimethyl-6-(4-methylpent-3-enyl)-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-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 | 98.67% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.63% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.07% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.18% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.79% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.13% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.62% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.66% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.87% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.31% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.69% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.65% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.93% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.13% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.05% | 90.08% |
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.
| Fossombronia wondraczekii |
| PubChem | 163046445 |
| LOTUS | LTS0127894 |
| wikiData | Q105157838 |