(4S)-7,8-dimethoxyspiro[2,3-dihydro-1,5-benzodioxepine-4,2'-furo[2,3-e][1]benzofuran]-3'-one
| Internal ID | bcf6ec4a-9a78-4926-843f-c0373cb6795e |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | (4S)-7,8-dimethoxyspiro[2,3-dihydro-1,5-benzodioxepine-4,2'-furo[2,3-e][1]benzofuran]-3'-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)OCCC3(O2)C(=O)C4=C(O3)C5=C(C=C4)OC=C5)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)OCC[C@]3(O2)C(=O)C4=C(O3)C5=C(C=C4)OC=C5)OC |
| InChI | InChI=1S/C20H16O7/c1-22-14-9-16-17(10-15(14)23-2)26-20(6-8-25-16)19(21)12-3-4-13-11(5-7-24-13)18(12)27-20/h3-5,7,9-10H,6,8H2,1-2H3/t20-/m1/s1 |
| InChI Key | IRNUVXYYVAFCSJ-HXUWFJFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16O7 |
| Molecular Weight | 368.30 g/mol |
| Exact Mass | 368.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 76.40 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (4S)-7,8-dimethoxyspiro[2,3-dihydro-1,5-benzodioxepine-4,2'-furo[2,3-e][1]benzofuran]-3'-one](https://plantaedb.com/storage/docs/compounds/2023/11/4s-78-dimethoxyspiro23-dihydro-15-benzodioxepine-42-furo23-e1benzofuran-3-one.jpg "2D Structure of (4S)-7,8-dimethoxyspiro[2,3-dihydro-1,5-benzodioxepine-4,2'-furo[2,3-e][1]benzofuran]-3'-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 | 96.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.74% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.46% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.34% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.81% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.37% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.20% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.20% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.56% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.63% | 94.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.64% | 82.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.60% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.34% | 89.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.33% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.01% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.77% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.50% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.30% | 94.80% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.25% | 95.12% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.69% | 92.94% |
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.
| Derris trifoliata |
| PubChem | 163007815 |
| LOTUS | LTS0204926 |
| wikiData | Q105118983 |