N-(7,8-dimethoxy-2-oxochromen-3-yl)-7,9-dihydroxy-12-oxa-2,3-dithia-11-azatricyclo[6.2.2.04,9]dodec-5-ene-1-carboxamide
| Internal ID | 053c136e-210a-4a73-a227-05a8a71aa897 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | N-(7,8-dimethoxy-2-oxochromen-3-yl)-7,9-dihydroxy-12-oxa-2,3-dithia-11-azatricyclo[6.2.2.04,9]dodec-5-ene-1-carboxamide |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C34CC5(C(C=CC(C5ON3)O)SS4)O)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C34CC5(C(C=CC(C5ON3)O)SS4)O)OC |
| InChI | InChI=1S/C20H20N2O8S2/c1-27-12-5-3-9-7-10(17(24)29-14(9)15(12)28-2)21-18(25)20-8-19(26)13(31-32-20)6-4-11(23)16(19)30-22-20/h3-7,11,13,16,22-23,26H,8H2,1-2H3,(H,21,25) |
| InChI Key | VNLOGLPDJJSAJI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20N2O8S2 |
| Molecular Weight | 480.50 g/mol |
| Exact Mass | 480.06610795 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of N-(7,8-dimethoxy-2-oxochromen-3-yl)-7,9-dihydroxy-12-oxa-2,3-dithia-11-azatricyclo[6.2.2.04,9]dodec-5-ene-1-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/89941550-86a2-11ee-830e-0f9d299d6f6a.jpg "2D Structure of N-(7,8-dimethoxy-2-oxochromen-3-yl)-7,9-dihydroxy-12-oxa-2,3-dithia-11-azatricyclo[6.2.2.04,9]dodec-5-ene-1-carboxamide")
| 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 | 98.15% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.96% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.60% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.19% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.61% | 89.34% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 90.93% | 96.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.64% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.30% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.58% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.26% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.13% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.10% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.89% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.67% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.34% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.73% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.99% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.68% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.50% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.10% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.98% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.93% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.37% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.27% | 91.07% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 80.03% | 92.95% |
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 | 162955427 |
| LOTUS | LTS0238981 |
| wikiData | Q104199625 |