2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-5-(1,6,7-trihydroxy-3-methoxy-6-methyl-9,10-dioxo-7,8-dihydro-5H-anthracen-2-yl)-2,4-dihydro-1H-anthracene-9,10-dione
| Internal ID | 5cec87e6-4310-4001-87a9-80a21d7a68a9 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-5-(1,6,7-trihydroxy-3-methoxy-6-methyl-9,10-dioxo-7,8-dihydro-5H-anthracen-2-yl)-2,4-dihydro-1H-anthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H30O13/c1-31(42)9-13-10(6-17(31)34)26(37)19-11(25(13)36)5-15(44-3)23(28(19)39)22-16(45-4)8-14(33)21-24(22)29(40)20-12(27(21)38)7-18(35)32(2,43)30(20)41/h5,8,17-18,30,33-35,39,41-43H,6-7,9H2,1-4H3 |
| InChI Key | IEFTVHHVCNGFFB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H30O13 |
| Molecular Weight | 622.60 g/mol |
| Exact Mass | 622.16864101 g/mol |
| Topological Polar Surface Area (TPSA) | 228.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
| 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 | 99.17% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.53% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.19% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.49% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.43% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.34% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.76% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.11% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.35% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.93% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.68% | 94.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.08% | 92.88% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.98% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.69% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.33% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.25% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.51% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.19% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.71% | 91.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.83% | 93.03% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.32% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.74% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.13% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.10% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.65% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.56% | 96.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.55% | 97.14% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.44% | 96.90% |
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 | 162976183 |
| LOTUS | LTS0125252 |
| wikiData | Q104168699 |