(2R,3R)-4-hydroxy-3-[(1E,3E)-5-hydroxy-4-methylpenta-1,3-dienyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione
| Internal ID | ab14927a-82e3-474b-a386-26c7642c3c0e |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (2R,3R)-4-hydroxy-3-[(1E,3E)-5-hydroxy-4-methylpenta-1,3-dienyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24O6/c1-11(10-23)7-6-8-22(4)13(3)28-21-16-14(9-15(24)17(21)22)19(26)20(27-5)12(2)18(16)25/h6-9,13,23-24H,10H2,1-5H3/b8-6+,11-7+/t13-,22+/m1/s1 |
| InChI Key | KRJVRTQHLJDFAL-KCYHBSIOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H24O6 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-4-hydroxy-3-[(1E,3E)-5-hydroxy-4-methylpenta-1,3-dienyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-6,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/11ea9060-85c9-11ee-8497-3513276fec64.jpg "2D Structure of (2R,3R)-4-hydroxy-3-[(1E,3E)-5-hydroxy-4-methylpenta-1,3-dienyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzofuran-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.10% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.58% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.50% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.37% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.12% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.10% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.57% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.42% | 94.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.24% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.59% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.32% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.64% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.98% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.94% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.71% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.30% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.04% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.46% | 91.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.41% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.31% | 99.17% |
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.
| There are no matching plants. |
| PubChem | 11417738 |
| LOTUS | LTS0062938 |
| wikiData | Q44107981 |