(5R)-5-(3,4,5-trimethoxyphenyl)-6,9-dihydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
| Internal ID | f3ae9883-23ba-482c-94c8-0b921f5d871f |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans > Furanonaphthodioxoles |
| IUPAC Name | (5R)-5-(3,4,5-trimethoxyphenyl)-6,9-dihydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)C2C3=C(CC4=CC5=C(C=C24)OCO5)C(=O)OC3 |
| SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)[C@H]2C3=C(CC4=CC5=C(C=C24)OCO5)C(=O)OC3 |
| InChI | InChI=1S/C22H20O7/c1-24-18-6-12(7-19(25-2)21(18)26-3)20-13-8-17-16(28-10-29-17)5-11(13)4-14-15(20)9-27-22(14)23/h5-8,20H,4,9-10H2,1-3H3/t20-/m1/s1 |
| InChI Key | CBMCBZOJCIZZTR-HXUWFJFHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H20O7 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (5R)-5-(3,4,5-trimethoxyphenyl)-6,9-dihydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/5r-5-345-trimethoxyphenyl-69-dihydro-5h-2benzofuro65-f13benzodioxol-8-one.jpg "2D Structure of (5R)-5-(3,4,5-trimethoxyphenyl)-6,9-dihydro-5H-[2]benzofuro[6,5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.16% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.34% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.20% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.43% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.42% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.86% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.25% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.95% | 96.77% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 89.47% | 96.86% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.47% | 86.33% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.10% | 92.98% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 87.60% | 95.55% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.50% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.25% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.62% | 82.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.58% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.21% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.62% | 97.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.02% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.60% | 95.89% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.78% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.22% | 94.00% |
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.
To see more specific details click the taxa you are interested in.
| Condea verticillata |
| PubChem | 101663383 |
| LOTUS | LTS0086766 |
| wikiData | Q104403524 |