Chinensinaphthol methyl ether
| Internal ID | 77c7691f-b4cb-4c57-8851-677c22361f6a |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 9-(3,4-dimethoxyphenyl)-5-methoxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=C3C(=C(C4=CC5=C(C=C42)OCO5)OC)COC3=O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=C3C(=C(C4=CC5=C(C=C42)OCO5)OC)COC3=O)OC |
| InChI | InChI=1S/C22H18O7/c1-24-15-5-4-11(6-16(15)25-2)19-12-7-17-18(29-10-28-17)8-13(12)21(26-3)14-9-27-22(23)20(14)19/h4-8H,9-10H2,1-3H3 |
| InChI Key | SFPLCCUNXOBTQY-UHFFFAOYSA-N |
| Popularity | 3 references 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 |
| CHEMBL510411 |
| 9-(3,4-dimethoxyphenyl)-5-methoxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.78% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.54% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.04% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.46% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.22% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.30% | 98.95% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 92.30% | 98.21% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.86% | 92.98% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.13% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.08% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.29% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.95% | 94.00% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 88.09% | 85.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.27% | 98.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.78% | 92.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.73% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.26% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.22% | 85.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.89% | 80.96% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.59% | 93.31% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.30% | 96.21% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.29% | 82.67% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.07% | 94.03% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.70% | 95.53% |
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.
| Justicia procumbens |
| Monechma ciliatum |
| PubChem | 5315828 |
| NPASS | NPC115123 |
| ChEMBL | CHEMBL510411 |
| LOTUS | LTS0224754 |
| wikiData | Q105251920 |