3-Hydroxy-9-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-one
| Internal ID | f8733c16-5b12-43dc-8901-50ecc5daae7e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 3-hydroxy-9-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H20O4/c1-8-6-5-7-10-11(8)9(2)12-14(13(10)19-4)20-15(17)16(12,3)18/h8,18H,5-7H2,1-4H3 |
| InChI Key | FCMSAPXDFYCBGJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O4 |
| Molecular Weight | 276.33 g/mol |
| Exact Mass | 276.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 3-Hydroxy-9-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-9-methoxy-345-trimethyl-5678-tetrahydrobenzof1benzofuran-2-one.jpg "2D Structure of 3-Hydroxy-9-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][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 | 93.44% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.68% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.88% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.04% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.18% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.31% | 96.43% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.80% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.56% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.24% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.60% | 98.95% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 83.54% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.32% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.97% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.39% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.37% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.16% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.98% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.64% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.11% | 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.
| Psacalium radulifolium |
| PubChem | 85222997 |
| LOTUS | LTS0067711 |
| wikiData | Q104993226 |