(5S)-5-ethoxy-2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one
| Internal ID | 910418fe-32cc-407e-af7b-85a98cff444b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | (5S)-5-ethoxy-2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one |
| SMILES (Canonical) | CCOC1C2=CC(=C(C=C2C3=C(O1)C(=O)C4=C(O3)C=C(C=C4)OC)OC)OC |
| SMILES (Isomeric) | CCO[C@@H]1C2=CC(=C(C=C2C3=C(O1)C(=O)C4=C(O3)C=C(C=C4)OC)OC)OC |
| InChI | InChI=1S/C21H20O7/c1-5-26-21-14-10-17(25-4)16(24-3)9-13(14)19-20(28-21)18(22)12-7-6-11(23-2)8-15(12)27-19/h6-10,21H,5H2,1-4H3/t21-/m0/s1 |
| InChI Key | GYTUXFGTYZJRCQ-NRFANRHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O7 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (5S)-5-ethoxy-2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/5s-5-ethoxy-2310-trimethoxy-5h-isochromeno43-bchromen-7-one.jpg "2D Structure of (5S)-5-ethoxy-2,3,10-trimethoxy-5H-isochromeno[4,3-b]chromen-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 | 94.75% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.23% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.72% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.89% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.76% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.17% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.04% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.67% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.19% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.38% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.49% | 97.09% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.03% | 92.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.33% | 86.33% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.51% | 94.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.30% | 91.49% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.16% | 86.92% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.52% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.10% | 85.14% |
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.
| Acacia fasciculifera |
| PubChem | 162842651 |
| LOTUS | LTS0086154 |
| wikiData | Q105024161 |