4-Methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one
| Internal ID | 50efc3d0-eff7-4490-82d4-78b258fa12fb |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Styrenes |
| IUPAC Name | 4-methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one |
| SMILES (Canonical) | CC1=CC(=C(C=C1)C=CC=CC(=CCC2=C(C(=C(C(=O)O2)C)OC)C)C)CC=C |
| SMILES (Isomeric) | CC1=CC(=C(C=C1)C=CC=CC(=CCC2=C(C(=C(C(=O)O2)C)OC)C)C)CC=C |
| InChI | InChI=1S/C26H30O3/c1-7-10-23-17-19(3)13-15-22(23)12-9-8-11-18(2)14-16-24-20(4)25(28-6)21(5)26(27)29-24/h7-9,11-15,17H,1,10,16H2,2-6H3 |
| InChI Key | FDDUXCZCGGJQHT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O3 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 4-Methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-methoxy-35-dimethyl-6-3-methyl-7-4-methyl-2-prop-2-enylphenylhepta-246-trienylpyran-2-one.jpg "2D Structure of 4-Methoxy-3,5-dimethyl-6-[3-methyl-7-(4-methyl-2-prop-2-enylphenyl)hepta-2,4,6-trienyl]pyran-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 | 98.53% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.39% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.94% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.88% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.73% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.35% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.05% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.59% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.66% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.89% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.40% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.54% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.83% | 94.80% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.69% | 94.75% |
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.
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| There are no matching plants. |
| PubChem | 162862783 |
| LOTUS | LTS0078338 |
| wikiData | Q103818904 |