7-Hydroxy-3-(hydroxymethyl)-4-methoxy-4,6,6-trimethyl-4a,5,7,7a-tetrahydrocyclopenta[f][2]benzofuran-8-one
| Internal ID | 6727dcd0-bfb8-4dab-81b2-738a61e81a07 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | 7-hydroxy-3-(hydroxymethyl)-4-methoxy-4,6,6-trimethyl-4a,5,7,7a-tetrahydrocyclopenta[f][2]benzofuran-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H22O5/c1-15(2)5-9-11(14(15)19)13(18)8-7-21-10(6-17)12(8)16(9,3)20-4/h7,9,11,14,17,19H,5-6H2,1-4H3 |
| InChI Key | PTBOFCKVMXCQRQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H22O5 |
| Molecular Weight | 294.34 g/mol |
| Exact Mass | 294.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 79.90 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-3-(hydroxymethyl)-4-methoxy-4,6,6-trimethyl-4a,5,7,7a-tetrahydrocyclopenta[f][2]benzofuran-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/28f5ac70-875c-11ee-9753-9fea39679cac.jpg "2D Structure of 7-Hydroxy-3-(hydroxymethyl)-4-methoxy-4,6,6-trimethyl-4a,5,7,7a-tetrahydrocyclopenta[f][2]benzofuran-8-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.75% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.77% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.50% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.62% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.38% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.49% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.82% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.74% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.13% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.83% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.27% | 83.82% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.18% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.84% | 94.73% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.67% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.60% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.29% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.05% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163034146 |
| LOTUS | LTS0124950 |
| wikiData | Q104195398 |