8-Hydroxy-6-methoxy-pentylisocoumarin
| Internal ID | c8f80c91-9eee-4aad-afea-daab0ac7bf05 |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | 8-hydroxy-6-methoxy-3-pentylisochromen-1-one |
| SMILES (Canonical) | CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)O)OC |
| SMILES (Isomeric) | CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)O)OC |
| InChI | InChI=1S/C15H18O4/c1-3-4-5-6-11-7-10-8-12(18-2)9-13(16)14(10)15(17)19-11/h7-9,16H,3-6H2,1-2H3 |
| InChI Key | OJMLKTQJTMXBAQ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
| 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 | 98.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.63% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.50% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.90% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.52% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.24% | 89.63% |
| CHEMBL240 | Q12809 | HERG | 91.10% | 89.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.14% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.49% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.13% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.47% | 96.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 86.09% | 92.68% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.81% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.28% | 99.23% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.32% | 93.31% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.97% | 93.65% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.58% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.54% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.10% | 96.00% |
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.
| Garcinia bancana |
| Pongamia pinnata |
| Tessmannia densiflora |
| Xylosma longifolia |
| PubChem | 13636699 |
| LOTUS | LTS0080053 |
| wikiData | Q105193152 |