10-hydroxy-8-[5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-7-methoxy-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione
| Internal ID | 93bd6399-a2fb-4dfe-88bd-ce28f12a0e23 |
| Taxonomy | Phenylpropanoids and polyketides > Isochromanequinones |
| IUPAC Name | 10-hydroxy-8-[5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-7-methoxy-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione |
| SMILES (Canonical) | CCCC1C2=C(C3=C(C=C2C=C(O1)C)C(=O)C(=C(C3=O)C4OCC(C(O4)CO)O)OC)O |
| SMILES (Isomeric) | CCCC1C2=C(C3=C(C=C2C=C(O1)C)C(=O)C(=C(C3=O)C4OCC(C(O4)CO)O)OC)O |
| InChI | InChI=1S/C23H26O9/c1-4-5-14-16-11(6-10(2)31-14)7-12-17(20(16)27)21(28)18(22(29-3)19(12)26)23-30-9-13(25)15(8-24)32-23/h6-7,13-15,23-25,27H,4-5,8-9H2,1-3H3 |
| InChI Key | OVYINHDUCFPXIJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O9 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 10-hydroxy-8-[5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-7-methoxy-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/39fb1a00-86a1-11ee-9db3-7fa7637cff64.jpg "2D Structure of 10-hydroxy-8-[5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-7-methoxy-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.71% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.18% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.14% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.52% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.08% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.96% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.73% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.20% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.76% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.65% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.50% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.97% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.94% | 85.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.40% | 82.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.65% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.39% | 96.43% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.44% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.34% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.22% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.60% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.41% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.78% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.15% | 93.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.68% | 94.73% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.60% | 93.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.15% | 95.89% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.81% | 80.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.50% | 97.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 10623243 |
| LOTUS | LTS0028596 |
| wikiData | Q75067905 |