6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
| Internal ID | 6a83e7d7-97c6-4d0d-a763-b84c165bf337 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 6-methoxy-2,2-dimethyl-3H-chromen-4-one |
| SMILES (Canonical) | CC1(CC(=O)C2=C(O1)C=CC(=C2)OC)C |
| SMILES (Isomeric) | CC1(CC(=O)C2=C(O1)C=CC(=C2)OC)C |
| InChI | InChI=1S/C12H14O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6H,7H2,1-3H3 |
| InChI Key | ZCZUDOBLRMXOGV-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.24 g/mol |
| Exact Mass | 206.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 2.00 |
| 6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one |
| 6-methoxy-2,2-dimethylchroman-4-one |
| 6-methoxy-2,2-dimethyl-4-chromanone |
| 6-methoxy-2,2-dimethyl-3H-chromen-4-one |
| 2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one |
| MFCD15527094 |
| 64Z8NE44MC |
| CHEMBL450517 |
| SCHEMBL6086511 |
| CHEBI:166521 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.47% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.20% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.63% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.89% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 92.98% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.37% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.99% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.81% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.15% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.35% | 93.31% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.04% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.70% | 94.45% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.28% | 95.53% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.52% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.37% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.88% | 97.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.59% | 80.96% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.40% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.83% | 92.62% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.75% | 92.51% |
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.
| There are no matching plants. |
| PubChem | 12531626 |
| LOTUS | LTS0116129 |
| wikiData | Q105371905 |