8-Methoxy-3-methylisochroman-1-one
| Internal ID | 48ec2f15-7269-4017-a9ca-9c9f841a6361 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 8-methoxy-3-methyl-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CC1CC2=C(C(=CC=C2)OC)C(=O)O1 |
| SMILES (Isomeric) | CC1CC2=C(C(=CC=C2)OC)C(=O)O1 |
| InChI | InChI=1S/C11H12O3/c1-7-6-8-4-3-5-9(13-2)10(8)11(12)14-7/h3-5,7H,6H2,1-2H3 |
| InChI Key | AYIDXPPINFIJKW-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.21 g/mol |
| Exact Mass | 192.078644241 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 2.20 |
| 30407-92-2 |
| CHEMBL389637 |
| 8-methoxy-3-methyl-3,4-dihydroisochromen-1-one |
| SCHEMBL13925633 |
| AYIDXPPINFIJKW-UHFFFAOYSA- |
| BDBM50208250 |
| 3-methyl-8-methoxy-3,4-dihydroisocoumarin |
| InChI=1/C11H12O3/c1-7-6-8-4-3-5-9(13-2)10(8)11(12)14-7/h3-5,7H,6H2,1-2H3 |
| 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 | 94.96% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.47% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.43% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.09% | 98.95% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.67% | 94.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.83% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.75% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.49% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.91% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.59% | 96.86% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.99% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.33% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.90% | 93.99% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.48% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.25% | 85.14% |
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.
| Campylotropis hirtella |
| PubChem | 5192540 |
| LOTUS | LTS0181025 |
| wikiData | Q103816542 |