(5R,6R)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione
| Internal ID | 216d70c3-d066-4dbf-82a9-7b918d5963d5 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | (5R,6R)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione |
| SMILES (Canonical) | CCC1=CC2=C(C(=C1)O)C3=C(C(C2O)O)C(=O)C4=C(C3=O)C=CC=C4OC |
| SMILES (Isomeric) | CCC1=CC2=C(C(=C1)O)C3=C([C@H]([C@@H]2O)O)C(=O)C4=C(C3=O)C=CC=C4OC |
| InChI | InChI=1S/C21H18O6/c1-3-9-7-11-14(12(22)8-9)16-17(21(26)19(11)24)20(25)15-10(18(16)23)5-4-6-13(15)27-2/h4-8,19,21-22,24,26H,3H2,1-2H3/t19-,21-/m1/s1 |
| InChI Key | REHQZAPLPBWRNN-TZIWHRDSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H18O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (5R,6R)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5r6r-3-ethyl-156-trihydroxy-8-methoxy-56-dihydrobenzoaanthracene-712-dione.jpg "2D Structure of (5R,6R)-3-ethyl-1,5,6-trihydroxy-8-methoxy-5,6-dihydrobenzo[a]anthracene-7,12-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.13% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.79% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.83% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 92.39% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.38% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.28% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.22% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.97% | 82.69% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.75% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.54% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.53% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.48% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.09% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.29% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.79% | 96.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.65% | 85.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.38% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.11% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.93% | 97.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.78% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.28% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 42603803 |
| LOTUS | LTS0234158 |
| wikiData | Q105234872 |