6,7-Dimethoxy-13'-methylspiro[2-benzofuran-3,11'-4,6,12-trioxa-13-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene]-1-one
| Internal ID | b035a0ab-c47a-4355-8b3d-69301b313729 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | 6,7-dimethoxy-13'-methylspiro[2-benzofuran-3,11'-4,6,12-trioxa-13-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene]-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H19NO7/c1-22-13-6-10-7-15-16(27-9-26-15)8-11(10)18(13)21(29-22)12-4-5-14(24-2)19(25-3)17(12)20(23)28-21/h4-5,7-8,13,18H,6,9H2,1-3H3 |
| InChI Key | KJCRSVQDFAVZCW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H19NO7 |
| Molecular Weight | 397.40 g/mol |
| Exact Mass | 397.11615195 g/mol |
| Topological Polar Surface Area (TPSA) | 75.70 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 6,7-Dimethoxy-13'-methylspiro[2-benzofuran-3,11'-4,6,12-trioxa-13-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene]-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/4485d860-85e3-11ee-a943-95a02823a853.jpg "2D Structure of 6,7-Dimethoxy-13'-methylspiro[2-benzofuran-3,11'-4,6,12-trioxa-13-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-triene]-1-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.59% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.29% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.06% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.78% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.77% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.35% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.55% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.42% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.11% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.06% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.60% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.91% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.52% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.14% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.11% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.01% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.47% | 98.75% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.08% | 82.38% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.53% | 96.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 85.36% | 96.76% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.16% | 97.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.16% | 89.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.97% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.39% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.86% | 97.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.13% | 91.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.88% | 96.86% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.64% | 82.67% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.54% | 94.80% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.53% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.48% | 100.00% |
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.
| Dactylicapnos torulosa |
| PubChem | 162918139 |
| LOTUS | LTS0094958 |
| wikiData | Q105141788 |