9,10-Anthracenedione, 1,2,3,4-tetrahydro-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-, (1alpha,2beta,3beta,4alpha)-
| Internal ID | 47d1cc4c-95d5-44a3-9130-fb19fe2a3894 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione |
| SMILES (Canonical) | CC1(C(C(C2=C(C1O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O)O)O |
| SMILES (Isomeric) | CC1(C(C(C2=C(C1O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O)O)O |
| InChI | InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3 |
| InChI Key | VSMBLBOUQJNJIL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O8 |
| Molecular Weight | 336.29 g/mol |
| Exact Mass | 336.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | -1.30 |
| 1,2,3,4,5-Pentahydroxy-7-methoxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione # |
| 9,10-Anthracenedione, 1,2,3,4-tetrahydro-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-, (1.alpha.,2.beta.,3.beta.,4.alpha.)- |
| 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 | 97.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.81% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.80% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.79% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.88% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.56% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.88% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.90% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.67% | 95.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.84% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.28% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.65% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.16% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.26% | 91.49% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.13% | 95.53% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.00% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.88% | 86.33% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.79% | 92.68% |
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.
| Mentha pulegium |
| Urospermum picroides |
| PubChem | 621767 |
| LOTUS | LTS0225019 |
| wikiData | Q104199750 |