(6-methoxy-3,5,8a-trimethyl-4-oxo-7,8,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-4a-yl) 3-phenylprop-2-enoate
| Internal ID | 404e4864-64a0-46e6-89d2-558fd979bd9b |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (6-methoxy-3,5,8a-trimethyl-4-oxo-7,8,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-4a-yl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O5/c1-16-15-29-20-14-24(3)13-12-19(28-4)17(2)25(24,23(27)22(16)20)30-21(26)11-10-18-8-6-5-7-9-18/h5-11,15,20,22H,12-14H2,1-4H3 |
| InChI Key | OHJOLXCVQUXFGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O5 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (6-methoxy-3,5,8a-trimethyl-4-oxo-7,8,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-4a-yl) 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/ff62e5d0-86f1-11ee-ae23-a72373294fad.jpg "2D Structure of (6-methoxy-3,5,8a-trimethyl-4-oxo-7,8,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-4a-yl) 3-phenylprop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.69% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.57% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.67% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.54% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.61% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.01% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.27% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.98% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.83% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.42% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.82% | 91.07% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.25% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.21% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.54% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.47% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.49% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.09% | 93.00% |
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.
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| There are no matching plants. |
| PubChem | 162996084 |
| LOTUS | LTS0237736 |
| wikiData | Q105192111 |