(5S)-8-methoxy-5-(4-methoxyphenyl)-5H-furo[3,4-f][1,3]benzodioxol-7-one
| Internal ID | c2f4d103-bff2-41d9-bbed-c6fe501ca138 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | (5S)-8-methoxy-5-(4-methoxyphenyl)-5H-furo[3,4-f][1,3]benzodioxol-7-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2C3=CC4=C(C(=C3C(=O)O2)OC)OCO4 |
| SMILES (Isomeric) | COC1=CC=C(C=C1)[C@H]2C3=CC4=C(C(=C3C(=O)O2)OC)OCO4 |
| InChI | InChI=1S/C17H14O6/c1-19-10-5-3-9(4-6-10)14-11-7-12-15(22-8-21-12)16(20-2)13(11)17(18)23-14/h3-7,14H,8H2,1-2H3/t14-/m0/s1 |
| InChI Key | YGQRBIAAYNSDPC-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (5S)-8-methoxy-5-(4-methoxyphenyl)-5H-furo[3,4-f][1,3]benzodioxol-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/5s-8-methoxy-5-4-methoxyphenyl-5h-furo34-f13benzodioxol-7-one.jpg "2D Structure of (5S)-8-methoxy-5-(4-methoxyphenyl)-5H-furo[3,4-f][1,3]benzodioxol-7-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 | 98.10% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.47% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.27% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.42% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.71% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.40% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.80% | 96.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.98% | 80.96% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.47% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.16% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.58% | 94.80% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.57% | 82.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.87% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.24% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.93% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.75% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.78% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.15% | 95.89% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 81.90% | 82.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.79% | 97.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.61% | 99.15% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.48% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.32% | 99.23% |
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.
| Aglaia edulis |
| PubChem | 162979790 |
| LOTUS | LTS0114695 |
| wikiData | Q105348233 |