3-Methyl-5,7-dimethoxyphthalide
| Internal ID | 06d2f94b-5360-43d1-b095-e13c13e34500 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | 5,7-dimethoxy-3-methyl-3H-2-benzofuran-1-one |
| SMILES (Canonical) | CC1C2=C(C(=CC(=C2)OC)OC)C(=O)O1 |
| SMILES (Isomeric) | CC1C2=C(C(=CC(=C2)OC)OC)C(=O)O1 |
| InChI | InChI=1S/C11H12O4/c1-6-8-4-7(13-2)5-9(14-3)10(8)11(12)15-6/h4-6H,1-3H3 |
| InChI Key | KZXFFWHBUZGTRE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.21 g/mol |
| Exact Mass | 208.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 1.70 |
| CHEMBL467112 |
| SCHEMBL2186672 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.38% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.96% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.07% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.45% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.29% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.97% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.44% | 98.95% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.16% | 96.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.06% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.94% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.71% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.91% | 93.31% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.59% | 91.07% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.01% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.05% | 90.00% |
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.
| Picea glauca |
| PubChem | 12243184 |
| LOTUS | LTS0040480 |
| wikiData | Q77280873 |