Phyllamyricin E
| Internal ID | e45dfb76-5f60-4bab-95f5-b419fdc70de4 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 4-(1,3-benzodioxol-5-yl)-1,6,7-trimethoxy-1H-benzo[f][2]benzofuran-3-one |
| SMILES (Canonical) | COC1C2=C(C(=C3C=C(C(=CC3=C2)OC)OC)C4=CC5=C(C=C4)OCO5)C(=O)O1 |
| SMILES (Isomeric) | COC1C2=C(C(=C3C=C(C(=CC3=C2)OC)OC)C4=CC5=C(C=C4)OCO5)C(=O)O1 |
| InChI | InChI=1S/C22H18O7/c1-24-16-8-12-6-14-20(21(23)29-22(14)26-3)19(13(12)9-17(16)25-2)11-4-5-15-18(7-11)28-10-27-15/h4-9,22H,10H2,1-3H3 |
| InChI Key | JJEHCCQUBCQCHI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H18O7 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 4.00 |
| CHEMBL512822 |
| 9-Benzo[1,3]dioxol-5-yl-3,6,7-trimethoxy-3H-naphtho[2,3-c]furan-1-one |
| 4-(1,3-benzodioxol-5-yl)-1,6,7-trimethoxy-1H-benzo[f]isobenzofuran-3-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.76% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.96% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.38% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.17% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.12% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.09% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.92% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.69% | 96.77% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.93% | 80.96% |
| CHEMBL240 | Q12809 | HERG | 89.46% | 89.76% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 89.18% | 92.38% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.12% | 82.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.80% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.18% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.87% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.33% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.43% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.41% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.01% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.81% | 97.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.68% | 95.53% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.60% | 95.78% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.01% | 94.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.39% | 89.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.89% | 94.75% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.54% | 93.31% |
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.
| Euphorbia fischeriana |
| Euphorbia maculata |
| Heuchera cylindrica |
| Phyllagathis rotundifolia |
| Terminalia chebula |
| PubChem | 477161 |
| LOTUS | LTS0221303 |
| wikiData | Q105224451 |