6-Hydroxy-7,8-dimethoxy-2-(2-oxopropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
| Internal ID | b5f73fe9-6da2-4af1-9627-280350009a87 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | 6-hydroxy-7,8-dimethoxy-2-(2-oxopropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one |
| SMILES (Canonical) | CC(=O)CC1CC2C(O1)C3=CC(=C(C(=C3C(=O)O2)O)OC)OC |
| SMILES (Isomeric) | CC(=O)CC1CC2C(O1)C3=CC(=C(C(=C3C(=O)O2)O)OC)OC |
| InChI | InChI=1S/C16H18O7/c1-7(17)4-8-5-11-14(22-8)9-6-10(20-2)15(21-3)13(18)12(9)16(19)23-11/h6,8,11,14,18H,4-5H2,1-3H3 |
| InChI Key | YBIUZLUVUQHDHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O7 |
| Molecular Weight | 322.31 g/mol |
| Exact Mass | 322.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 6-Hydroxy-7,8-dimethoxy-2-(2-oxopropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-hydroxy-78-dimethoxy-2-2-oxopropyl-233a9b-tetrahydrofuro32-cisochromen-5-one.jpg "2D Structure of 6-Hydroxy-7,8-dimethoxy-2-(2-oxopropyl)-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-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 | 99.18% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.31% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.38% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.15% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.69% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.48% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.18% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.09% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.62% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.55% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.92% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.52% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.96% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.38% | 97.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 71436822 |
| LOTUS | LTS0137785 |
| wikiData | Q105348200 |